2-but-2-enylidenecyclododecan-1-one

C16H26O — CID 72612267

IUPAC2-but-2-enylidenecyclododecan-1-one
SMILESCC=CC=C1CCCCCCCCCCC1=O
InChIInChI=1S/C16H26O/c1-2-3-12-15-13-10-8-6-4-5-7-9-11-14-16(15)17/h2-3,12H,4-11,13-14H2,1H3
InChIKeyFMFNJGKDGLUCGS-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.97
Rot. Bonds1

About 2-but-2-enylidenecyclododecan-1-one

2-but-2-enylidenecyclododecan-1-one (PubChem CID 72612267) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-but-2-enylidenecyclododecan-1-one.

Molecular Properties

Compound Name2-but-2-enylidenecyclododecan-1-one
PubChem CID72612267
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-but-2-enylidenecyclododecan-1-one
SMILESCC=CC=C1CCCCCCCCCCC1=O
InChIInChI=1S/C16H26O/c1-2-3-12-15-13-10-8-6-4-5-7-9-11-14-16(15)17/h2-3,12H,4-11,13-14H2,1H3
InChIKeyFMFNJGKDGLUCGS-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-2-enylidenecyclododecan-1-one?
The IUPAC name of 2-but-2-enylidenecyclododecan-1-one (CID 72612267) is 2-but-2-enylidenecyclododecan-1-one.
What is the SMILES notation for 2-but-2-enylidenecyclododecan-1-one?
The canonical SMILES for 2-but-2-enylidenecyclododecan-1-one is CC=CC=C1CCCCCCCCCCC1=O.
What is the InChIKey of 2-but-2-enylidenecyclododecan-1-one?
The InChIKey is FMFNJGKDGLUCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-2-3-12-15-13-10-8-6-4-5-7-9-11-14-16(15)17/h2-3,12H,4-11,13-14H2,1H3.
What are the key properties of 2-but-2-enylidenecyclododecan-1-one?
2-but-2-enylidenecyclododecan-1-one has a molecular weight of 234.38 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enylidenecyclododecan-1-one is sourced from PubChem (CID 72612267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).