(1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol

C14H24O2 — CID 163175467

IUPAC(1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol
SMILESC[C@H](C/C=C/[C@@H](C)O)[C@H]1C=C[C@](C)(O)CC1
InChIInChI=1S/C14H24O2/c1-11(5-4-6-12(2)15)13-7-9-14(3,16)10-8-13/h4,6-7,9,11-13,15-16H,5,8,10H2,1-3H3/b6-4+/t11-,12-,13+,14+/m1/s1
InChIKeyXBKAUOYYIOGLNF-HWKFAXJXSA-N
MW224.34 g/mol
LogP2.67
Rot. Bonds4

About (1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol

(1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol (PubChem CID 163175467) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol
PubChem CID163175467
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol
SMILESC[C@H](C/C=C/[C@@H](C)O)[C@H]1C=C[C@](C)(O)CC1
InChIInChI=1S/C14H24O2/c1-11(5-4-6-12(2)15)13-7-9-14(3,16)10-8-13/h4,6-7,9,11-13,15-16H,5,8,10H2,1-3H3/b6-4+/t11-,12-,13+,14+/m1/s1
InChIKeyXBKAUOYYIOGLNF-HWKFAXJXSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4R)-4-[(E,2S)-6-hydroperoxy-6-methylhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol
CID 162958185
(6S)-6-[(1R,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-en-4-one
CID 14633004
(1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol
CID 162933798
(4S)-1,4-dimethylcyclohex-2-en-1-ol
CID 89083200
1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 522445
(1S,2E,4S,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 11148775
(4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol
CID 177427018
(1S,2E,4R,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 162957245
argon;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 159755681
(7Z,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 161449094
1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 520190
(1S,2E,4S,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol;(1R,2E,4S,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 163472628

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol?
The IUPAC name of (1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol (CID 163175467) is (1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol is C[C@H](C/C=C/[C@@H](C)O)[C@H]1C=C[C@](C)(O)CC1.
What is the InChIKey of (1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol?
The InChIKey is XBKAUOYYIOGLNF-HWKFAXJXSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(5-4-6-12(2)15)13-7-9-14(3,16)10-8-13/h4,6-7,9,11-13,15-16H,5,8,10H2,1-3H3/b6-4+/t11-,12-,13+,14+/m1/s1.
What are the key properties of (1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol?
(1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol has a molecular weight of 224.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-[(E,2R,6R)-6-hydroxyhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 163175467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).