(1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol

C10H16O — CID 124705431

IUPAC(1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@@H]1C=C(C)CCC1
InChIInChI=1S/C10H16O/c1-3-10(11)9-6-4-5-8(2)7-9/h3,7,9-11H,1,4-6H2,2H3/t9-,10+/m0/s1
InChIKeyTZBSJLDECKUEIR-VHSXEESVSA-N
MW152.24 g/mol
LogP2.28
Rot. Bonds2

About (1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol

(1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol (PubChem CID 124705431) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol
PubChem CID124705431
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@@H]1C=C(C)CCC1
InChIInChI=1S/C10H16O/c1-3-10(11)9-6-4-5-8(2)7-9/h3,7,9-11H,1,4-6H2,2H3/t9-,10+/m0/s1
InChIKeyTZBSJLDECKUEIR-VHSXEESVSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(dimethoxymethyl)-1-methylcyclohexene
CID 24977288
dimethyl 2-(3-methylcyclohex-2-en-1-yl)propanedioate
CID 71399274
3-methylcyclohex-2-en-1-ol;propane
CID 142858327
ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene
CID 172579088
3-iodo-1-methylcyclohexene
CID 86119849
3-ethenylcyclohex-2-en-1-ol
CID 10866328
methyl (2R)-2-(4-bromophenyl)-2-[(1R)-3-methylcyclohex-2-en-1-yl]acetate
CID 101161273
(1S)-1-cyclohexylprop-2-en-1-ol
CID 11171021
(3-methylcyclohex-2-en-1-yl) formate
CID 87738453
trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid
CID 54436723
(3-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate
CID 174112793
1,1-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine
CID 141199364

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol?
The IUPAC name of (1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol (CID 124705431) is (1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol.
What is the SMILES notation for (1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol?
The canonical SMILES for (1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol is C=C[C@@H](O)[C@@H]1C=C(C)CCC1.
What is the InChIKey of (1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol?
The InChIKey is TZBSJLDECKUEIR-VHSXEESVSA-N. The full InChI is InChI=1S/C10H16O/c1-3-10(11)9-6-4-5-8(2)7-9/h3,7,9-11H,1,4-6H2,2H3/t9-,10+/m0/s1.
What are the key properties of (1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol?
(1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol is sourced from PubChem (CID 124705431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).