(Z)-2-hydroxy-2-methylhexadec-9-en-5-one

C17H32O2 — CID 58282922

IUPAC(Z)-2-hydroxy-2-methylhexadec-9-en-5-one
SMILESCCCCCC/C=C\CCCC(=O)CCC(C)(C)O
InChIInChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-16(18)14-15-17(2,3)19/h9-10,19H,4-8,11-15H2,1-3H3/b10-9-
InChIKeyFMENMVNBSNQUBG-KTKRTIGZSA-N
MW268.44 g/mol
LogP4.80
Rot. Bonds12

About (Z)-2-hydroxy-2-methylhexadec-9-en-5-one

(Z)-2-hydroxy-2-methylhexadec-9-en-5-one (PubChem CID 58282922) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (Z)-2-hydroxy-2-methylhexadec-9-en-5-one.

Molecular Properties

Compound Name(Z)-2-hydroxy-2-methylhexadec-9-en-5-one
PubChem CID58282922
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(Z)-2-hydroxy-2-methylhexadec-9-en-5-one
SMILESCCCCCC/C=C\CCCC(=O)CCC(C)(C)O
InChIInChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-16(18)14-15-17(2,3)19/h9-10,19H,4-8,11-15H2,1-3H3/b10-9-
InChIKeyFMENMVNBSNQUBG-KTKRTIGZSA-N
XLogP4.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-2-methylhexadec-9-en-5-one?
The IUPAC name of (Z)-2-hydroxy-2-methylhexadec-9-en-5-one (CID 58282922) is (Z)-2-hydroxy-2-methylhexadec-9-en-5-one.
What is the SMILES notation for (Z)-2-hydroxy-2-methylhexadec-9-en-5-one?
The canonical SMILES for (Z)-2-hydroxy-2-methylhexadec-9-en-5-one is CCCCCC/C=C\CCCC(=O)CCC(C)(C)O.
What is the InChIKey of (Z)-2-hydroxy-2-methylhexadec-9-en-5-one?
The InChIKey is FMENMVNBSNQUBG-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H32O2/c1-4-5-6-7-8-9-10-11-12-13-16(18)14-15-17(2,3)19/h9-10,19H,4-8,11-15H2,1-3H3/b10-9-.
What are the key properties of (Z)-2-hydroxy-2-methylhexadec-9-en-5-one?
(Z)-2-hydroxy-2-methylhexadec-9-en-5-one has a molecular weight of 268.44 g/mol, XLogP of 4.80, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-2-methylhexadec-9-en-5-one is sourced from PubChem (CID 58282922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).