(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol

C15H28O — CID 57387115

IUPAC(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol
SMILESCC(C)=CCC[C@@H](C)[C@@H]1CC[C@@H](C)C[C@@H]1O
InChIInChI=1S/C15H28O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,12-16H,5,7-10H2,1-4H3/t12-,13-,14+,15+/m1/s1
InChIKeyKIWBTFKOYVIVJQ-KBXIAJHMSA-N
MW224.39 g/mol
LogP4.17
Rot. Bonds4

About (1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol

(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol (PubChem CID 57387115) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol
PubChem CID57387115
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol
SMILESCC(C)=CCC[C@@H](C)[C@@H]1CC[C@@H](C)C[C@@H]1O
InChIInChI=1S/C15H28O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,12-16H,5,7-10H2,1-4H3/t12-,13-,14+,15+/m1/s1
InChIKeyKIWBTFKOYVIVJQ-KBXIAJHMSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

(2E)-3,7-dimethylocta-2,6-dienal;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 87439428
3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one
CID 11075064
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
diiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 165053923
2-[1-(3,5-dimethylcyclohexyl)oxypropan-2-yl]-5-methylcyclohexan-1-ol
CID 146251429
3,7-dimethylocta-1,6-dien-3-yl acetate;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 22134021
3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene
CID 162883102
3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate
CID 70184537
3-hydroxy-4-(6-methylhept-5-en-2-yl)cyclohexene-1-carboxylic acid
CID 162944174
4-hydroxy-2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one
CID 155887258
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol?
The IUPAC name of (1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol (CID 57387115) is (1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol is CC(C)=CCC[C@@H](C)[C@@H]1CC[C@@H](C)C[C@@H]1O.
What is the InChIKey of (1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol?
The InChIKey is KIWBTFKOYVIVJQ-KBXIAJHMSA-N. The full InChI is InChI=1S/C15H28O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,12-16H,5,7-10H2,1-4H3/t12-,13-,14+,15+/m1/s1.
What are the key properties of (1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol?
(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 57387115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).