(1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol

C15H26O2 — CID 11791262

IUPAC(1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol
SMILESCC1(C)CCC[C@@]1(C)[C@@H]1C=C[C@](C)(O)[C@@H](O)C1
InChIInChI=1S/C15H26O2/c1-13(2)7-5-8-14(13,3)11-6-9-15(4,17)12(16)10-11/h6,9,11-12,16-17H,5,7-8,10H2,1-4H3/t11-,12+,14+,15+/m1/s1
InChIKeyARHSYZHJIIRPIL-DHMWGJHJSA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds1

About (1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol

(1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol (PubChem CID 11791262) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name(1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol
PubChem CID11791262
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol
SMILESCC1(C)CCC[C@@]1(C)[C@@H]1C=C[C@](C)(O)[C@@H](O)C1
InChIInChI=1S/C15H26O2/c1-13(2)7-5-8-14(13,3)11-6-9-15(4,17)12(16)10-11/h6,9,11-12,16-17H,5,7-8,10H2,1-4H3/t11-,12+,14+,15+/m1/s1
InChIKeyARHSYZHJIIRPIL-DHMWGJHJSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.89
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 (1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol?
The IUPAC name of (1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol (CID 11791262) is (1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol.
What is the SMILES notation for (1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol?
The canonical SMILES for (1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol is CC1(C)CCC[C@@]1(C)[C@@H]1C=C[C@](C)(O)[C@@H](O)C1.
What is the InChIKey of (1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol?
The InChIKey is ARHSYZHJIIRPIL-DHMWGJHJSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2)7-5-8-14(13,3)11-6-9-15(4,17)12(16)10-11/h6,9,11-12,16-17H,5,7-8,10H2,1-4H3/t11-,12+,14+,15+/m1/s1.
What are the key properties of (1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol?
(1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol has a molecular weight of 238.37 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S)-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-3-ene-1,2-diol is sourced from PubChem (CID 11791262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).