(6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one

C14H24O2 — CID 10857106

IUPAC(6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one
SMILESCC1CCCCCC/C=C\CCCC(=O)O1
InChIInChI=1S/C14H24O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h4,6,13H,2-3,5,7-12H2,1H3/b6-4-
InChIKeyUNYFVMZKRMXDRF-XQRVVYSFSA-N
MW224.34 g/mol
LogP4.00
Rot. Bonds

About (6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one

(6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one (PubChem CID 10857106) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one.

Molecular Properties

Compound Name(6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one
PubChem CID10857106
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one
SMILESCC1CCCCCC/C=C\CCCC(=O)O1
InChIInChI=1S/C14H24O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h4,6,13H,2-3,5,7-12H2,1H3/b6-4-
InChIKeyUNYFVMZKRMXDRF-XQRVVYSFSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.00
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)-14-methyl-1-oxacyclotetradec-6-en-2-one?
The IUPAC name of (6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one (CID 10857106) is (6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one.
What is the SMILES notation for (6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one?
The canonical SMILES for (6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one is CC1CCCCCC/C=C\CCCC(=O)O1.
What is the InChIKey of (6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one?
The InChIKey is UNYFVMZKRMXDRF-XQRVVYSFSA-N. The full InChI is InChI=1S/C14H24O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h4,6,13H,2-3,5,7-12H2,1H3/b6-4-.
What are the key properties of (6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one?
(6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one has a molecular weight of 224.34 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one is sourced from PubChem (CID 10857106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).