(1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol

C15H26O — CID 101280480

IUPAC(1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C[C@@]1(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]1C(=C)C
InChIInChI=1S/C15H26O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-14,16H,1,4,8-9H2,2-3,5-6H3/t12-,13-,14+,15-/m0/s1
InChIKeyWOULTTPZJDSDEI-XQLPTFJDSA-N
MW222.37 g/mol
LogP3.80
Rot. Bonds3

About (1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol

(1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 101280480) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID101280480
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C[C@@]1(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]1C(=C)C
InChIInChI=1S/C15H26O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-14,16H,1,4,8-9H2,2-3,5-6H3/t12-,13-,14+,15-/m0/s1
InChIKeyWOULTTPZJDSDEI-XQLPTFJDSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane
CID 163017053
(2S)-2-[(1S,2S,3R,4S)-4-ethenyl-2-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]propanoic acid
CID 23253243
1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane
CID 100977936
(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
CID 131156042
(1R,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
CID 641756
(1S,4R)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4,8-triol
CID 146157343
(1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 132988527
(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475
(1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol
CID 11357317
4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-ol
CID 74931871
(2E)-2-[(3S,3aS,6R,7R,7aR)-6-ethenyl-3,6-dimethyl-7-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-ylidene]acetaldehyde
CID 162988386
(6-acetyl-3-ethenyl-3-methyl-2-prop-1-en-2-ylcyclohexyl) 4-hydroxy-4-methylpent-2-enoate
CID 73067247

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol (CID 101280480) is (1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol is C=C[C@@]1(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]1C(=C)C.
What is the InChIKey of (1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is WOULTTPZJDSDEI-XQLPTFJDSA-N. The full InChI is InChI=1S/C15H26O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-14,16H,1,4,8-9H2,2-3,5-6H3/t12-,13-,14+,15-/m0/s1.
What are the key properties of (1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol?
(1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 101280480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).