(Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one

C13H24O2 — CID 14537577

IUPAC(Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one
SMILESCC(=O)CC/C=C(/C)CCCC(C)(C)O
InChIInChI=1S/C13H24O2/c1-11(7-5-9-12(2)14)8-6-10-13(3,4)15/h7,15H,5-6,8-10H2,1-4H3/b11-7-
InChIKeyQLCSFSXBQRLMEL-XFFZJAGNSA-N
MW212.33 g/mol
LogP3.24
Rot. Bonds7

About (Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one

(Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one (PubChem CID 14537577) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one.

Molecular Properties

Compound Name(Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one
PubChem CID14537577
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one
SMILESCC(=O)CC/C=C(/C)CCCC(C)(C)O
InChIInChI=1S/C13H24O2/c1-11(7-5-9-12(2)14)8-6-10-13(3,4)15/h7,15H,5-6,8-10H2,1-4H3/b11-7-
InChIKeyQLCSFSXBQRLMEL-XFFZJAGNSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
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 (Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one?
The IUPAC name of (Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one (CID 14537577) is (Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one.
What is the SMILES notation for (Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one?
The canonical SMILES for (Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one is CC(=O)CC/C=C(/C)CCCC(C)(C)O.
What is the InChIKey of (Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one?
The InChIKey is QLCSFSXBQRLMEL-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H24O2/c1-11(7-5-9-12(2)14)8-6-10-13(3,4)15/h7,15H,5-6,8-10H2,1-4H3/b11-7-.
What are the key properties of (Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one?
(Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one has a molecular weight of 212.33 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one is sourced from PubChem (CID 14537577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).