(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol

C15H26O2 — CID 134827941

IUPAC(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol
SMILESCC(C)=CCCC(C)(O)[C@H]1CC=C(C)C(O)C1
InChIInChI=1S/C15H26O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)14(16)10-13/h6-7,13-14,16-17H,5,8-10H2,1-4H3/t13-,14?,15?/m0/s1
InChIKeyWDQFGPCEFJRFIP-NFOMZHRRSA-N
MW238.37 g/mol
LogP3.20
Rot. Bonds4

About (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol

(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol (PubChem CID 134827941) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol
PubChem CID134827941
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol
SMILESCC(C)=CCCC(C)(O)[C@H]1CC=C(C)C(O)C1
InChIInChI=1S/C15H26O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)14(16)10-13/h6-7,13-14,16-17H,5,8-10H2,1-4H3/t13-,14?,15?/m0/s1
InChIKeyWDQFGPCEFJRFIP-NFOMZHRRSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol?
The IUPAC name of (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol (CID 134827941) is (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol?
The canonical SMILES for (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol is CC(C)=CCCC(C)(O)[C@H]1CC=C(C)C(O)C1.
What is the InChIKey of (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol?
The InChIKey is WDQFGPCEFJRFIP-NFOMZHRRSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)14(16)10-13/h6-7,13-14,16-17H,5,8-10H2,1-4H3/t13-,14?,15?/m0/s1.
What are the key properties of (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol?
(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 134827941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).