(1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol

C15H26O2 — CID 11843778

IUPAC(1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol
SMILESCC[C@@](C)(O)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1C=C(C)C
InChIInChI=1S/C15H26O2/c1-6-15(5,17)13-8-7-11(4)14(16)12(13)9-10(2)3/h7,9,12-14,16-17H,6,8H2,1-5H3/t12-,13-,14-,15-/m1/s1
InChIKeyCJDZRSPYLGEJSX-KBUPBQIOSA-N
MW238.37 g/mol
LogP3.06
Rot. Bonds3

About (1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol

(1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol (PubChem CID 11843778) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol
PubChem CID11843778
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol
SMILESCC[C@@](C)(O)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1C=C(C)C
InChIInChI=1S/C15H26O2/c1-6-15(5,17)13-8-7-11(4)14(16)12(13)9-10(2)3/h7,9,12-14,16-17H,6,8H2,1-5H3/t12-,13-,14-,15-/m1/s1
InChIKeyCJDZRSPYLGEJSX-KBUPBQIOSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carveol
CID 7438
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
Sobrerol
CID 91463
p-Menth-1-en-3-ol
CID 10282
(+)-cis-Carveol
CID 443177
cis-Piperitol
CID 85567
(+)-trans-Carveol
CID 443178
(1S,6S)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-ol
CID 12314336
3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-ol
CID 527822
trans-Sobrerol
CID 854498
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6R)-rel-
CID 85568

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol?
The IUPAC name of (1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol (CID 11843778) is (1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol.
What is the SMILES notation for (1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol?
The canonical SMILES for (1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol is CC[C@@](C)(O)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1C=C(C)C.
What is the InChIKey of (1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol?
The InChIKey is CJDZRSPYLGEJSX-KBUPBQIOSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-15(5,17)13-8-7-11(4)14(16)12(13)9-10(2)3/h7,9,12-14,16-17H,6,8H2,1-5H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of (1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol?
(1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 11843778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).