(9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one

C13H22O2 — CID 134965188

IUPAC(9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one
SMILESC/C1=C\CCCCCCC(=O)OC(C)C1
InChIInChI=1S/C13H22O2/c1-11-8-6-4-3-5-7-9-13(14)15-12(2)10-11/h8,12H,3-7,9-10H2,1-2H3/b11-8+
InChIKeyWKLNNIXXHQDDEW-DHZHZOJOSA-N
MW210.32 g/mol
LogP3.61
Rot. Bonds

About (9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one

(9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one (PubChem CID 134965188) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one.

Molecular Properties

Compound Name(9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one
PubChem CID134965188
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one
SMILESC/C1=C\CCCCCCC(=O)OC(C)C1
InChIInChI=1S/C13H22O2/c1-11-8-6-4-3-5-7-9-13(14)15-12(2)10-11/h8,12H,3-7,9-10H2,1-2H3/b11-8+
InChIKeyWKLNNIXXHQDDEW-DHZHZOJOSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.61
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

Ethyl Oleate
CID 5363269
Butyl Oleate
CID 5354342
Oxacycloheptadec-8-en-2-one, (8Z)-
CID 5365703
Ethyl linolenate
CID 5367460
Vernolate
CID 25246088
Methyl acetyl ricinoleate
CID 5354176
Ethyl Linoleate
CID 5282184
Decyl Oleate
CID 5363234
Methyl 9-undecenoate
CID 6435903
Jasmine lactone
CID 5352626
Isoambrettolide, (Z)-
CID 5355293
Butyl ricinoleate
CID 5354175

Frequently Asked Questions

What is the IUPAC name of (9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one?
The IUPAC name of (9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one (CID 134965188) is (9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one.
What is the SMILES notation for (9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one?
The canonical SMILES for (9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one is C/C1=C\CCCCCCC(=O)OC(C)C1.
What is the InChIKey of (9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one?
The InChIKey is WKLNNIXXHQDDEW-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H22O2/c1-11-8-6-4-3-5-7-9-13(14)15-12(2)10-11/h8,12H,3-7,9-10H2,1-2H3/b11-8+.
What are the key properties of (9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one?
(9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one is sourced from PubChem (CID 134965188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).