(3Z)-cyclododec-3-en-1-one

C12H20O — CID 18348362

IUPAC(3Z)-cyclododec-3-en-1-one
SMILESO=C1C/C=C\CCCCCCCC1
InChIInChI=1S/C12H20O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h6,8H,1-5,7,9-11H2/b8-6-
InChIKeyPLSGAOVJWOMTJQ-VURMDHGXSA-N
MW180.29 g/mol
LogP3.64
Rot. Bonds

About (3Z)-cyclododec-3-en-1-one

(3Z)-cyclododec-3-en-1-one (PubChem CID 18348362) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (3Z)-cyclododec-3-en-1-one.

Molecular Properties

Compound Name(3Z)-cyclododec-3-en-1-one
PubChem CID18348362
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(3Z)-cyclododec-3-en-1-one
SMILESO=C1C/C=C\CCCCCCCC1
InChIInChI=1S/C12H20O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h6,8H,1-5,7,9-11H2/b8-6-
InChIKeyPLSGAOVJWOMTJQ-VURMDHGXSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3Z)-cyclododec-3-en-1-one?
The IUPAC name of (3Z)-cyclododec-3-en-1-one (CID 18348362) is (3Z)-cyclododec-3-en-1-one.
What is the SMILES notation for (3Z)-cyclododec-3-en-1-one?
The canonical SMILES for (3Z)-cyclododec-3-en-1-one is O=C1C/C=C\CCCCCCCC1.
What is the InChIKey of (3Z)-cyclododec-3-en-1-one?
The InChIKey is PLSGAOVJWOMTJQ-VURMDHGXSA-N. The full InChI is InChI=1S/C12H20O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h6,8H,1-5,7,9-11H2/b8-6-.
What are the key properties of (3Z)-cyclododec-3-en-1-one?
(3Z)-cyclododec-3-en-1-one has a molecular weight of 180.29 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-cyclododec-3-en-1-one is sourced from PubChem (CID 18348362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).