(1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol

C14H24O — CID 14945728

IUPAC(1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol
SMILESCC(C)=CCC[C@H](O)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C14H24O/c1-11(2)5-4-6-14(15)13-9-7-12(3)8-10-13/h5,7,13-15H,4,6,8-10H2,1-3H3/t13-,14+/m1/s1
InChIKeyGRWNCQTXRVSTRT-KGLIPLIRSA-N
MW208.34 g/mol
LogP3.84
Rot. Bonds4

About (1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol

(1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol (PubChem CID 14945728) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol.

Molecular Properties

Compound Name(1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol
PubChem CID14945728
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol
SMILESCC(C)=CCC[C@H](O)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C14H24O/c1-11(2)5-4-6-14(15)13-9-7-12(3)8-10-13/h5,7,13-15H,4,6,8-10H2,1-3H3/t13-,14+/m1/s1
InChIKeyGRWNCQTXRVSTRT-KGLIPLIRSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.84
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

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CID 8842
Bisabolol
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CID 442343
beta-CITRONELLOL, (R)-
CID 101977
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
Menthadienol
CID 527143
p-Menth-1-en-3-ol
CID 10282
p-MENTH-1-EN-9-OL
CID 86753
alpha,4-Dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
CID 10586

Frequently Asked Questions

What is the IUPAC name of (1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol?
The IUPAC name of (1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol (CID 14945728) is (1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol.
What is the SMILES notation for (1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol?
The canonical SMILES for (1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol is CC(C)=CCC[C@H](O)[C@@H]1CC=C(C)CC1.
What is the InChIKey of (1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol?
The InChIKey is GRWNCQTXRVSTRT-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)5-4-6-14(15)13-9-7-12(3)8-10-13/h5,7,13-15H,4,6,8-10H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of (1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol?
(1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-methyl-1-[(1S)-4-methylcyclohex-3-en-1-yl]hex-4-en-1-ol is sourced from PubChem (CID 14945728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).