(6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one

C16H28O2 — CID 168932403

IUPAC(6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one
SMILESC/C1=C/CCCCCCCCCOCC(=O)CC1
InChIInChI=1S/C16H28O2/c1-15-10-8-6-4-2-3-5-7-9-13-18-14-16(17)12-11-15/h10H,2-9,11-14H2,1H3/b15-10-
InChIKeyNAJFYQCIFQNPKH-GDNBJRDFSA-N
MW252.40 g/mol
LogP4.43
Rot. Bonds

About (6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one

(6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one (PubChem CID 168932403) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one.

Molecular Properties

Compound Name(6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one
PubChem CID168932403
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one
SMILESC/C1=C/CCCCCCCCCOCC(=O)CC1
InChIInChI=1S/C16H28O2/c1-15-10-8-6-4-2-3-5-7-9-13-18-14-16(17)12-11-15/h10H,2-9,11-14H2,1H3/b15-10-
InChIKeyNAJFYQCIFQNPKH-GDNBJRDFSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
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 (6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one?
The IUPAC name of (6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one (CID 168932403) is (6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one.
What is the SMILES notation for (6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one?
The canonical SMILES for (6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one is C/C1=C/CCCCCCCCCOCC(=O)CC1.
What is the InChIKey of (6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one?
The InChIKey is NAJFYQCIFQNPKH-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H28O2/c1-15-10-8-6-4-2-3-5-7-9-13-18-14-16(17)12-11-15/h10H,2-9,11-14H2,1H3/b15-10-.
What are the key properties of (6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one?
(6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one has a molecular weight of 252.40 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one is sourced from PubChem (CID 168932403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).