6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol

C15H26O2 — CID 75987722

IUPAC6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol
SMILESCC(C)=CCCC(C)=CCCC(C)(O)C1CO1
InChIInChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-15(4,16)14-11-17-14/h7,9,14,16H,5-6,8,10-11H2,1-4H3
InChIKeyCLIDOAFOSTWHAW-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.61
Rot. Bonds7

About 6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol

6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol (PubChem CID 75987722) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol.

Molecular Properties

Compound Name6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol
PubChem CID75987722
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol
SMILESCC(C)=CCCC(C)=CCCC(C)(O)C1CO1
InChIInChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-15(4,16)14-11-17-14/h7,9,14,16H,5-6,8,10-11H2,1-4H3
InChIKeyCLIDOAFOSTWHAW-UHFFFAOYSA-N
XLogP3.61
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol?
The IUPAC name of 6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol (CID 75987722) is 6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol.
What is the SMILES notation for 6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol?
The canonical SMILES for 6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol is CC(C)=CCCC(C)=CCCC(C)(O)C1CO1.
What is the InChIKey of 6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol?
The InChIKey is CLIDOAFOSTWHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-12(2)7-5-8-13(3)9-6-10-15(4,16)14-11-17-14/h7,9,14,16H,5-6,8,10-11H2,1-4H3.
What are the key properties of 6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol?
6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol has a molecular weight of 238.37 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol is sourced from PubChem (CID 75987722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).