(6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione

C12H18O3 — CID 154706967

IUPAC(6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione
SMILESCC1CCC(=O)C/C=C\CCCC(=O)O1
InChIInChI=1S/C12H18O3/c1-10-8-9-11(13)6-4-2-3-5-7-12(14)15-10/h2,4,10H,3,5-9H2,1H3/b4-2-
InChIKeyDVXOGUNIBAMOLT-RQOWECAXSA-N
MW210.27 g/mol
LogP2.40
Rot. Bonds

About (6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione

(6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione (PubChem CID 154706967) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione.

Molecular Properties

Compound Name(6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione
PubChem CID154706967
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione
SMILESCC1CCC(=O)C/C=C\CCCC(=O)O1
InChIInChI=1S/C12H18O3/c1-10-8-9-11(13)6-4-2-3-5-7-12(14)15-10/h2,4,10H,3,5-9H2,1H3/b4-2-
InChIKeyDVXOGUNIBAMOLT-RQOWECAXSA-N
XLogP2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6Z,12S)-12-methyl-1-oxacyclododec-6-en-2-one
CID 163188101
(6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one
CID 10857106
(6Z,9Z,14S)-14-methyl-1-oxacyclotetradeca-6,9-dien-2-one
CID 56936049
(10Z,13Z)-18-methyl-1-oxacyclooctadeca-10,13-dien-2-one
CID 165161785
6-methyloxan-2-one;5-methyloxolan-2-one
CID 142135496
(4Z)-2-methyl-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 10583234
6-methyloxan-2-one
CID 160564586
5-methyloxolan-2-one
CID 69397003
(9E,12S)-12-methyl-1-oxacyclododec-9-en-2-one
CID 122213338
(15S)-15-methyl-oxacyclopentadecan-2-one
CID 86278289
(16R)-16-methyl-oxacyclohexadecan-2-one
CID 10978020
(14R)-14-methyl-oxacyclotetradecan-2-one
CID 11009676

Frequently Asked Questions

What is the IUPAC name of (6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione?
The IUPAC name of (6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione (CID 154706967) is (6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione.
What is the SMILES notation for (6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione?
The canonical SMILES for (6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione is CC1CCC(=O)C/C=C\CCCC(=O)O1.
What is the InChIKey of (6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione?
The InChIKey is DVXOGUNIBAMOLT-RQOWECAXSA-N. The full InChI is InChI=1S/C12H18O3/c1-10-8-9-11(13)6-4-2-3-5-7-12(14)15-10/h2,4,10H,3,5-9H2,1H3/b4-2-.
What are the key properties of (6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione?
(6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione has a molecular weight of 210.27 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-12-methyl-1-oxacyclododec-6-ene-2,9-dione is sourced from PubChem (CID 154706967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).