2-(2-methylprop-2-enyl)cyclododecan-1-one

C16H28O — CID 14609940

IUPAC2-(2-methylprop-2-enyl)cyclododecan-1-one
SMILESC=C(C)CC1CCCCCCCCCCC1=O
InChIInChI=1S/C16H28O/c1-14(2)13-15-11-9-7-5-3-4-6-8-10-12-16(15)17/h15H,1,3-13H2,2H3
InChIKeyRSOBFXURUKCIKG-UHFFFAOYSA-N
MW236.40 g/mol
LogP5.05
Rot. Bonds2

About 2-(2-methylprop-2-enyl)cyclododecan-1-one

2-(2-methylprop-2-enyl)cyclododecan-1-one (PubChem CID 14609940) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)cyclododecan-1-one.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)cyclododecan-1-one
PubChem CID14609940
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name2-(2-methylprop-2-enyl)cyclododecan-1-one
SMILESC=C(C)CC1CCCCCCCCCCC1=O
InChIInChI=1S/C16H28O/c1-14(2)13-15-11-9-7-5-3-4-6-8-10-12-16(15)17/h15H,1,3-13H2,2H3
InChIKeyRSOBFXURUKCIKG-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.05
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-methylprop-2-enyl)cyclododecan-1-one?
The IUPAC name of 2-(2-methylprop-2-enyl)cyclododecan-1-one (CID 14609940) is 2-(2-methylprop-2-enyl)cyclododecan-1-one.
What is the SMILES notation for 2-(2-methylprop-2-enyl)cyclododecan-1-one?
The canonical SMILES for 2-(2-methylprop-2-enyl)cyclododecan-1-one is C=C(C)CC1CCCCCCCCCCC1=O.
What is the InChIKey of 2-(2-methylprop-2-enyl)cyclododecan-1-one?
The InChIKey is RSOBFXURUKCIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-14(2)13-15-11-9-7-5-3-4-6-8-10-12-16(15)17/h15H,1,3-13H2,2H3.
What are the key properties of 2-(2-methylprop-2-enyl)cyclododecan-1-one?
2-(2-methylprop-2-enyl)cyclododecan-1-one has a molecular weight of 236.40 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)cyclododecan-1-one is sourced from PubChem (CID 14609940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).