(3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol

C15H26O3 — CID 102228759

IUPAC(3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol
SMILESCC1(C)O[C@](C)(C2C=C[C@@](C)(O)CC2)CC[C@@H]1O
InChIInChI=1S/C15H26O3/c1-13(2)12(16)7-10-15(4,18-13)11-5-8-14(3,17)9-6-11/h5,8,11-12,16-17H,6-7,9-10H2,1-4H3/t11?,12-,14+,15-/m0/s1
InChIKeyFUFCOMVTKVHPIF-IQVOKHDLSA-N
MW254.37 g/mol
LogP2.41
Rot. Bonds1

About (3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol

(3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol (PubChem CID 102228759) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol.

Molecular Properties

Compound Name(3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol
PubChem CID102228759
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol
SMILESCC1(C)O[C@](C)(C2C=C[C@@](C)(O)CC2)CC[C@@H]1O
InChIInChI=1S/C15H26O3/c1-13(2)12(16)7-10-15(4,18-13)11-5-8-14(3,17)9-6-11/h5,8,11-12,16-17H,6-7,9-10H2,1-4H3/t11?,12-,14+,15-/m0/s1
InChIKeyFUFCOMVTKVHPIF-IQVOKHDLSA-N
XLogP2.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol with MolForge

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Related Compounds

(4S)-1,4-dimethylcyclohex-2-en-1-ol
CID 89083200
(1S,4R,5S,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-5,6-diol
CID 124674049
(1S,4R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
CID 101389805
5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol
CID 13423312
(1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 12618691
argon;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 159755681
1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol
CID 123761074
CID 156648702
CID 156648702
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
(1R,3S,5S,7Z,9R,12S,13R)-9,12-dihydroxy-5,9,13-trimethyl-16-methylidene-4,14-dioxatricyclo[11.3.2.03,5]octadec-7-en-15-one
CID 162994887
[(1R,4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl] acetate
CID 10559066
1-methylcyclopent-4-ene-1,3-diol
CID 14083582

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol?
The IUPAC name of (3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol (CID 102228759) is (3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol.
What is the SMILES notation for (3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol?
The canonical SMILES for (3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol is CC1(C)O[C@](C)(C2C=C[C@@](C)(O)CC2)CC[C@@H]1O.
What is the InChIKey of (3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol?
The InChIKey is FUFCOMVTKVHPIF-IQVOKHDLSA-N. The full InChI is InChI=1S/C15H26O3/c1-13(2)12(16)7-10-15(4,18-13)11-5-8-14(3,17)9-6-11/h5,8,11-12,16-17H,6-7,9-10H2,1-4H3/t11?,12-,14+,15-/m0/s1.
What are the key properties of (3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol?
(3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol has a molecular weight of 254.37 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-[(4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2,2,6-trimethyloxan-3-ol is sourced from PubChem (CID 102228759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).