(3Z,7Z)-cyclododeca-3,7-dien-1-one

C12H18O — CID 69032820

IUPAC(3Z,7Z)-cyclododeca-3,7-dien-1-one
SMILESO=C1C/C=C\CC/C=C\CCCC1
InChIInChI=1S/C12H18O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-2,7,9H,3-6,8,10-11H2/b2-1-,9-7-
InChIKeyQPNRIQZDIQJREU-NQOXHWNZSA-N
MW178.28 g/mol
LogP3.41
Rot. Bonds

About (3Z,7Z)-cyclododeca-3,7-dien-1-one

(3Z,7Z)-cyclododeca-3,7-dien-1-one (PubChem CID 69032820) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (3Z,7Z)-cyclododeca-3,7-dien-1-one.

Molecular Properties

Compound Name(3Z,7Z)-cyclododeca-3,7-dien-1-one
PubChem CID69032820
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(3Z,7Z)-cyclododeca-3,7-dien-1-one
SMILESO=C1C/C=C\CC/C=C\CCCC1
InChIInChI=1S/C12H18O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-2,7,9H,3-6,8,10-11H2/b2-1-,9-7-
InChIKeyQPNRIQZDIQJREU-NQOXHWNZSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-cyclododec-3-en-1-one
CID 18348362
(6E,10Z)-cyclopentadeca-6,10-dien-1-one
CID 12036583
cyclohexanone;cyclohexene
CID 67659841
(10Z)-cycloicos-10-en-1-one
CID 11254844
(5E)-cycloheptadec-5-en-1-one
CID 13199934
cyclopentanone;cyclopent-3-en-1-one
CID 67539002
cycloheptadec-4-en-1-one
CID 69002216
cyclooctadeca-3,5-diene-1,8-dione
CID 91170043
(4E,10E)-cyclotetradeca-4,10-dien-1-one
CID 21249531
(7Z)-cyclododec-7-ene-1,2-dione
CID 15642693
2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bicyclo[4.2.0]octane;cyclohex-3-en-1-one
CID 158610182
(8Z)-cycloheptadec-8-ene-1,2-dione
CID 70189599

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-cyclododeca-3,7-dien-1-one?
The IUPAC name of (3Z,7Z)-cyclododeca-3,7-dien-1-one (CID 69032820) is (3Z,7Z)-cyclododeca-3,7-dien-1-one.
What is the SMILES notation for (3Z,7Z)-cyclododeca-3,7-dien-1-one?
The canonical SMILES for (3Z,7Z)-cyclododeca-3,7-dien-1-one is O=C1C/C=C\CC/C=C\CCCC1.
What is the InChIKey of (3Z,7Z)-cyclododeca-3,7-dien-1-one?
The InChIKey is QPNRIQZDIQJREU-NQOXHWNZSA-N. The full InChI is InChI=1S/C12H18O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-2,7,9H,3-6,8,10-11H2/b2-1-,9-7-.
What are the key properties of (3Z,7Z)-cyclododeca-3,7-dien-1-one?
(3Z,7Z)-cyclododeca-3,7-dien-1-one has a molecular weight of 178.28 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-cyclododeca-3,7-dien-1-one is sourced from PubChem (CID 69032820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).