1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone

C15H24O — CID 140828874

IUPAC1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone
SMILESC=C1CCCCCC2(C(C)=O)C1CC2(C)C
InChIInChI=1S/C15H24O/c1-11-8-6-5-7-9-15(12(2)16)13(11)10-14(15,3)4/h13H,1,5-10H2,2-4H3
InChIKeyPRQWIHWKRSJYRL-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.13
Rot. Bonds1

About 1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone

1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone (PubChem CID 140828874) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone.

Molecular Properties

Compound Name1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone
PubChem CID140828874
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone
SMILESC=C1CCCCCC2(C(C)=O)C1CC2(C)C
InChIInChI=1S/C15H24O/c1-11-8-6-5-7-9-15(12(2)16)13(11)10-14(15,3)4/h13H,1,5-10H2,2-4H3
InChIKeyPRQWIHWKRSJYRL-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.13
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 1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone?
The IUPAC name of 1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone (CID 140828874) is 1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone.
What is the SMILES notation for 1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone?
The canonical SMILES for 1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone is C=C1CCCCCC2(C(C)=O)C1CC2(C)C.
What is the InChIKey of 1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone?
The InChIKey is PRQWIHWKRSJYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11-8-6-5-7-9-15(12(2)16)13(11)10-14(15,3)4/h13H,1,5-10H2,2-4H3.
What are the key properties of 1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone?
1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone has a molecular weight of 220.36 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10,10-dimethyl-7-methylidene-1-bicyclo[6.2.0]decanyl)ethanone is sourced from PubChem (CID 140828874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).