(2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol

C15H26O2 — CID 14109005

IUPAC(2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol
SMILESCC(C)=CCC[C@](C)(O)[C@@H]1CC=C(CO)CC1
InChIInChI=1S/C15H26O2/c1-12(2)5-4-10-15(3,17)14-8-6-13(11-16)7-9-14/h5-6,14,16-17H,4,7-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyBVHMKADTAPKRMH-CABCVRRESA-N
MW238.37 g/mol
LogP3.20
Rot. Bonds5

About (2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol

(2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol (PubChem CID 14109005) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol.

Molecular Properties

Compound Name(2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol
PubChem CID14109005
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol
SMILESCC(C)=CCC[C@](C)(O)[C@@H]1CC=C(CO)CC1
InChIInChI=1S/C15H26O2/c1-12(2)5-4-10-15(3,17)14-8-6-13(11-16)7-9-14/h5-6,14,16-17H,4,7-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyBVHMKADTAPKRMH-CABCVRRESA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Perillyl Alcohol
CID 10819
Perilla alcohol
CID 369312
(+-)-Myrtenol
CID 10582
Sobrerol
CID 91463
Menthadienol
CID 527143
(+)-Perillyl alcohol
CID 11788398
Vetiverol
CID 101549
p-Menth-1-en-3-ol
CID 10282
p-MENTH-1-EN-9-OL
CID 86753
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4R)-rel-
CID 122485
cis-Piperitol
CID 85567
2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, (1R,4S)-rel-
CID 122484

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol?
The IUPAC name of (2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol (CID 14109005) is (2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol.
What is the SMILES notation for (2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol?
The canonical SMILES for (2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol is CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(CO)CC1.
What is the InChIKey of (2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol?
The InChIKey is BVHMKADTAPKRMH-CABCVRRESA-N. The full InChI is InChI=1S/C15H26O2/c1-12(2)5-4-10-15(3,17)14-8-6-13(11-16)7-9-14/h5-6,14,16-17H,4,7-11H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of (2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol?
(2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol has a molecular weight of 238.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-4-(hydroxymethyl)cyclohex-3-en-1-yl]-6-methylhept-5-en-2-ol is sourced from PubChem (CID 14109005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).