(10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one

C17H30O2 — CID 139804341

IUPAC(10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one
SMILESCC1C/C=C\CCCCCCCC(=O)OCCCC1
InChIInChI=1S/C17H30O2/c1-16-12-8-6-4-2-3-5-7-9-14-17(18)19-15-11-10-13-16/h6,8,16H,2-5,7,9-15H2,1H3/b8-6-
InChIKeyQSVGXKKJDPRJLE-VURMDHGXSA-N
MW266.42 g/mol
LogP5.03
Rot. Bonds

About (10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one

(10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one (PubChem CID 139804341) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one.

Molecular Properties

Compound Name(10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one
PubChem CID139804341
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one
SMILESCC1C/C=C\CCCCCCCC(=O)OCCCC1
InChIInChI=1S/C17H30O2/c1-16-12-8-6-4-2-3-5-7-9-14-17(18)19-15-11-10-13-16/h6,8,16H,2-5,7,9-15H2,1H3/b8-6-
InChIKeyQSVGXKKJDPRJLE-VURMDHGXSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

13-methyl-1-oxacyclopentadec-10-en-2-one
CID 54131551
(10Z)-1-oxacycloheptadec-10-en-2-one
CID 5355293
(9Z)-1-oxacyclotetradec-9-en-2-one
CID 102124456
(11Z)-1-oxacyclooctadec-11-en-2-one
CID 146509910
1-oxacyclohexadec-10-en-2-one
CID 72833343
(17E)-1,7-dioxacycloheptacos-17-ene-8,27-dione
CID 71658007
(11E)-1-oxacyclohexadec-11-en-2-one
CID 11107424
(4E,10E)-13-methyl-1-oxacyclohexadeca-4,10-dien-2-one
CID 88616788
35-methyl-1-oxacyclohexatriacont-28-en-2-one
CID 154573541
(25Z)-32-methyl-1-oxacyclotritriacont-25-en-2-one
CID 171118974
(23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one
CID 171118973
(7Z,11Z)-1-oxacycloheptadeca-7,11-dien-2-one
CID 171904779

Frequently Asked Questions

What is the IUPAC name of (10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one?
The IUPAC name of (10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one (CID 139804341) is (10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one.
What is the SMILES notation for (10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one?
The canonical SMILES for (10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one is CC1C/C=C\CCCCCCCC(=O)OCCCC1.
What is the InChIKey of (10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one?
The InChIKey is QSVGXKKJDPRJLE-VURMDHGXSA-N. The full InChI is InChI=1S/C17H30O2/c1-16-12-8-6-4-2-3-5-7-9-14-17(18)19-15-11-10-13-16/h6,8,16H,2-5,7,9-15H2,1H3/b8-6-.
What are the key properties of (10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one?
(10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one has a molecular weight of 266.42 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-13-methyl-1-oxacycloheptadec-10-en-2-one is sourced from PubChem (CID 139804341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).