5,5-Dimethylcyclohexane-1,3-diol

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Basic information

CAS: 51335-83-2
Standard SMILES: CC1(C)CC(O)CC(O)C1
InChIKey: LDJFUTSVFHJIAC-UHFFFAOYSA-N
Molecular formula: C8H16O2
Average molar mass: 144.21 g/mol
Monoisotopic mass: 144.11502975

Names & identifiers

Preferred name: 5,5-Dimethylcyclohexane-1,3-diol
IUPAC: 5,5-dimethylcyclohexane-1,3-diol

Names & synonyms

5,5-dimethylcyclohexane-1,3-diol597-98-851335-83-25,5-dimethyl-1,3-cyclohexanediolNSC100915NCIOpen2_001639SCHEMBL3627748DTXSID00295272LDJFUTSVFHJIAC-UHFFFAOYSA-NDTXSID501301464NSC100914AKOS002760975

Show more names

AKOS022190482NSC-100914NSC-1009151,3-Dihydroxy-5,5-dimethyl-cyclohexanEN300-25684348

Database identifiers

CAS: 51335-83-2、597-98-8
PubChem CID: 265108
DTXSID: DTXSID00295272
Nikkaji: J135.639I

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Related reactions

2 records

New reaction record

HRID 365651As productuspto-grants-2000_10

HRID 1421649As productuspto-grants-2000_06

Compound notes

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