2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one

C18H32O — CID 71182369

IUPAC2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one
SMILESCC(C)=C(C)CC1CCCCCCCCCCC1=O
InChIInChI=1S/C18H32O/c1-15(2)16(3)14-17-12-10-8-6-4-5-7-9-11-13-18(17)19/h17H,4-14H2,1-3H3
InChIKeyPWXVIGWPBJZDOW-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.83
Rot. Bonds2

About 2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one

2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one (PubChem CID 71182369) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one.

Molecular Properties

Compound Name2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one
PubChem CID71182369
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one
SMILESCC(C)=C(C)CC1CCCCCCCCCCC1=O
InChIInChI=1S/C18H32O/c1-15(2)16(3)14-17-12-10-8-6-4-5-7-9-11-13-18(17)19/h17H,4-14H2,1-3H3
InChIKeyPWXVIGWPBJZDOW-UHFFFAOYSA-N
XLogP5.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.83
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 2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one?
The IUPAC name of 2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one (CID 71182369) is 2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one.
What is the SMILES notation for 2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one?
The canonical SMILES for 2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one is CC(C)=C(C)CC1CCCCCCCCCCC1=O.
What is the InChIKey of 2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one?
The InChIKey is PWXVIGWPBJZDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-15(2)16(3)14-17-12-10-8-6-4-5-7-9-11-13-18(17)19/h17H,4-14H2,1-3H3.
What are the key properties of 2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one?
2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one has a molecular weight of 264.45 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one is sourced from PubChem (CID 71182369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).