Cyclopenta(c)(1)benzopyran-9-ol, 1,2,3,4-tetrahydro-4,4-dimethyl-7-(1,2-dimethylheptyl)-

HCID 215348

Basic information

CAS
35570-59-3
Standard SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCC1
InChIKey
ZJNVIVRSORGHEF-UHFFFAOYSA-N
Molecular formula
C23H34O2
Average molar mass
342.5 g/mol
Monoisotopic mass
342.25588033

Names & identifiers

Preferred name
Cyclopenta(c)(1)benzopyran-9-ol, 1,2,3,4-tetrahydro-4,4-dimethyl-7-(1,2-dimethylheptyl)-
IUPAC
4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-ol

Names & synonyms

BRN 122220335570-59-31,2,3,4-Tetrahydro-4,4-dimethyl-7-(1,2-dimethylheptyl)cyclopenta(c)(1)benzopyran-9-olCyclopenta(c)(1)benzopyran-9-ol, 1,2,3,4-tetrahydro-4,4-dimethyl-7-(1,2-dimethylheptyl)-RefChem:335843CHEMBL3276135SCHEMBL11734041SCHEMBL31546201DTXSID60956958ZJNVIVRSORGHEF-UHFFFAOYSA-N4,4-Dimethyl-7-(3-methyloctan-2-yl)-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-ol4,4-Dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c][1]benzopyran
Show more names
4,4-Dimethyl-9-hydroxy-7-(3methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c] [l] benzopyran4,4-dimethyl-9-hydroxy-7-(1,2-dimethylheptyl)-1,2,3,4-tetrahydrocyclopenta[ c][l]benzopyran4,4-Dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[ c][1] benzopyran4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[ c][1]benzopyran4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c] [l] benzopyran4,4-dimethyl-9-hydroxy-7-(3-methyl-2-octyl)-1,2,3,4-tetrahydrocyclopenta[c][ l] benzopyran

Database identifiers

CAS
35570-59-3
PubChem CID
215348
DTXSID
DTXSID60956958
ChEMBL
CHEMBL3276135

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
25

Related reactions

11 records

Compound notes

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