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(3R)-3-Methyl-1-penten-3-ol

HCID 6994763
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Basic information

CAS
2972185-21-8
Standard SMILES
C=C[C@](C)(O)CC
InChIKey
HFYAEUXHCMTPOL-LURJTMIESA-N
Molecular formula
C6H12O
Average molar mass
100.16 g/mol
Monoisotopic mass
100.088815

Names & identifiers

Preferred name
(3R)-3-Methyl-1-penten-3-ol
IUPAC
(3R)-3-methylpent-1-en-3-ol

Names & synonyms

G9J36UP6RXSCHEMBL14371227(3R)-3-Methyl-1-penten-3-ol3-Methyl-1-penten-3-ol, (3R)-1-Penten-3-ol, 3-methyl-, (3R)-2972185-21-8

Database identifiers

CAS
2972185-21-8
PubChem CID
6994763
UNII
G9J36UP6RX
Nikkaji
J232.273K

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
7
Formal charge
0
Complexity
68.6

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

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