6-hydroxy-6-methyldeca-7,8-dien-5-one

C11H18O2 — CID 101114668

IUPAC6-hydroxy-6-methyldeca-7,8-dien-5-one
SMILESCC=C=CC(C)(O)C(=O)CCCC
InChIInChI=1S/C11H18O2/c1-4-6-8-10(12)11(3,13)9-7-5-2/h5,9,13H,4,6,8H2,1-3H3
InChIKeyLPUFTNYJNWHCLS-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.23
Rot. Bonds5

About 6-hydroxy-6-methyldeca-7,8-dien-5-one

6-hydroxy-6-methyldeca-7,8-dien-5-one (PubChem CID 101114668) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6-hydroxy-6-methyldeca-7,8-dien-5-one.

Molecular Properties

Compound Name6-hydroxy-6-methyldeca-7,8-dien-5-one
PubChem CID101114668
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6-hydroxy-6-methyldeca-7,8-dien-5-one
SMILESCC=C=CC(C)(O)C(=O)CCCC
InChIInChI=1S/C11H18O2/c1-4-6-8-10(12)11(3,13)9-7-5-2/h5,9,13H,4,6,8H2,1-3H3
InChIKeyLPUFTNYJNWHCLS-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-methyldeca-7,8-dien-5-one?
The IUPAC name of 6-hydroxy-6-methyldeca-7,8-dien-5-one (CID 101114668) is 6-hydroxy-6-methyldeca-7,8-dien-5-one.
What is the SMILES notation for 6-hydroxy-6-methyldeca-7,8-dien-5-one?
The canonical SMILES for 6-hydroxy-6-methyldeca-7,8-dien-5-one is CC=C=CC(C)(O)C(=O)CCCC.
What is the InChIKey of 6-hydroxy-6-methyldeca-7,8-dien-5-one?
The InChIKey is LPUFTNYJNWHCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-6-8-10(12)11(3,13)9-7-5-2/h5,9,13H,4,6,8H2,1-3H3.
What are the key properties of 6-hydroxy-6-methyldeca-7,8-dien-5-one?
6-hydroxy-6-methyldeca-7,8-dien-5-one has a molecular weight of 182.26 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-methyldeca-7,8-dien-5-one is sourced from PubChem (CID 101114668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).