6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol

C15H28O3 — CID 14336607

IUPAC6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol
SMILESC=C(CCC(O)C(C)(C)O)C1CCC(C)(O)C1C
InChIInChI=1S/C15H28O3/c1-10(6-7-13(16)14(3,4)17)12-8-9-15(5,18)11(12)2/h11-13,16-18H,1,6-9H2,2-5H3
InChIKeyKSLTUCODDJJNPT-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.25
Rot. Bonds5

About 6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol

6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol (PubChem CID 14336607) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol.

Molecular Properties

Compound Name6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol
PubChem CID14336607
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol
SMILESC=C(CCC(O)C(C)(C)O)C1CCC(C)(O)C1C
InChIInChI=1S/C15H28O3/c1-10(6-7-13(16)14(3,4)17)12-8-9-15(5,18)11(12)2/h11-13,16-18H,1,6-9H2,2-5H3
InChIKeyKSLTUCODDJJNPT-UHFFFAOYSA-N
XLogP2.25
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol?
The IUPAC name of 6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol (CID 14336607) is 6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol.
What is the SMILES notation for 6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol?
The canonical SMILES for 6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol is C=C(CCC(O)C(C)(C)O)C1CCC(C)(O)C1C.
What is the InChIKey of 6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol?
The InChIKey is KSLTUCODDJJNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-10(6-7-13(16)14(3,4)17)12-8-9-15(5,18)11(12)2/h11-13,16-18H,1,6-9H2,2-5H3.
What are the key properties of 6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol?
6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol has a molecular weight of 256.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylhept-6-ene-2,3-diol is sourced from PubChem (CID 14336607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).