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

C15H26O2 — CID 12978154

IUPAC(1R,2S,3S,6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)-3-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C[C@]1(C)CC[C@@H](C(C)(C)O)[C@H](O)[C@H]1C(=C)C
InChIInChI=1S/C15H26O2/c1-7-15(6)9-8-11(14(4,5)17)13(16)12(15)10(2)3/h7,11-13,16-17H,1-2,8-9H2,3-6H3/t11-,12-,13+,15-/m1/s1
InChIKeyCAJBZOYDXGGKBO-GUIRCDHDSA-N
MW238.37 g/mol
LogP2.91
Rot. Bonds3

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

(1R,2S,3S,6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)-3-methyl-2-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 12978154) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,2S,3S,6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)-3-methyl-2-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,3S,6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)-3-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID12978154
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,2S,3S,6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)-3-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C[C@]1(C)CC[C@@H](C(C)(C)O)[C@H](O)[C@H]1C(=C)C
InChIInChI=1S/C15H26O2/c1-7-15(6)9-8-11(14(4,5)17)13(16)12(15)10(2)3/h7,11-13,16-17H,1-2,8-9H2,3-6H3/t11-,12-,13+,15-/m1/s1
InChIKeyCAJBZOYDXGGKBO-GUIRCDHDSA-N
XLogP2.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.91
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 (1R,2S,3S,6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)-3-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,3S,6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)-3-methyl-2-prop-1-en-2-ylcyclohexan-1-ol (CID 12978154) is (1R,2S,3S,6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)-3-methyl-2-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,3S,6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)-3-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,3S,6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)-3-methyl-2-prop-1-en-2-ylcyclohexan-1-ol is C=C[C@]1(C)CC[C@@H](C(C)(C)O)[C@H](O)[C@H]1C(=C)C.
What is the InChIKey of (1R,2S,3S,6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)-3-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is CAJBZOYDXGGKBO-GUIRCDHDSA-N. The full InChI is InChI=1S/C15H26O2/c1-7-15(6)9-8-11(14(4,5)17)13(16)12(15)10(2)3/h7,11-13,16-17H,1-2,8-9H2,3-6H3/t11-,12-,13+,15-/m1/s1.
What are the key properties of (1R,2S,3S,6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)-3-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
(1R,2S,3S,6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)-3-methyl-2-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)-3-methyl-2-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 12978154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).