10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one

C14H22O — CID 85255708

IUPAC10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one
SMILESC=C1CCC(=O)CCCC2C1CC2(C)C
InChIInChI=1S/C14H22O/c1-10-7-8-11(15)5-4-6-13-12(10)9-14(13,2)3/h12-13H,1,4-9H2,2-3H3
InChIKeySVROROODYLVLSH-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.74
Rot. Bonds

About 10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one

10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one (PubChem CID 85255708) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one.

Molecular Properties

Compound Name10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one
PubChem CID85255708
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one
SMILESC=C1CCC(=O)CCCC2C1CC2(C)C
InChIInChI=1S/C14H22O/c1-10-7-8-11(15)5-4-6-13-12(10)9-14(13,2)3/h12-13H,1,4-9H2,2-3H3
InChIKeySVROROODYLVLSH-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-Dimethyl-6-Methylenecyclohexyl)Butan-2-One
CID 114558
Bicyclo[7.2.0]undecan-5-one, 6,10,10-trimethyl-2-methylene-
CID 4552810
3,5,6,6-Tetramethyl-4-methyleneheptan-2-one
CID 3019018
Buddledin C
CID 5352042
15-Norcaryophyllen-3-one
CID 6857764
Birkenal
CID 11171774
Bicyclo(7.2.0)undec-4-en-3-one, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-
CID 5352041
4-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]butan-2-one
CID 11264039
Ethanone, 1-(10,10-dimethyl-2,6-bis(methylene)bicyclo(7.2.0)undec-5-yl)-
CID 108362
Bicyclo(7.2.0)undecan-5-one, 10,10-dimethyl-2-methylene-, (1S,9R)-
CID 10750808
Gibberosin L
CID 23661417
(1R,6S,9S,10S)-6,10-dimethyl-2-methylidene-10-(4-methyl-3-oxopentyl)bicyclo[7.2.0]undecan-5-one
CID 25210063

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one?
The IUPAC name of 10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one (CID 85255708) is 10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one.
What is the SMILES notation for 10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one?
The canonical SMILES for 10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one is C=C1CCC(=O)CCCC2C1CC2(C)C.
What is the InChIKey of 10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one?
The InChIKey is SVROROODYLVLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10-7-8-11(15)5-4-6-13-12(10)9-14(13,2)3/h12-13H,1,4-9H2,2-3H3.
What are the key properties of 10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one?
10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one has a molecular weight of 206.33 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one is sourced from PubChem (CID 85255708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).