(1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one

C14H22O — CID 10750808

IUPAC(1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one
SMILESC=C1CCC(=O)CCC[C@@H]2[C@@H]1CC2(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/t12-,13-/m1/s1
InChIKeySVROROODYLVLSH-CHWSQXEVSA-N
MW206.33 g/mol
LogP3.74
Rot. Bonds

About (1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one

(1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one (PubChem CID 10750808) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one.

Molecular Properties

Compound Name(1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one
PubChem CID10750808
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one
SMILESC=C1CCC(=O)CCC[C@@H]2[C@@H]1CC2(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/t12-,13-/m1/s1
InChIKeySVROROODYLVLSH-CHWSQXEVSA-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'}

Analyze (1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one?
The IUPAC name of (1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one (CID 10750808) is (1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one.
What is the SMILES notation for (1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one?
The canonical SMILES for (1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one is C=C1CCC(=O)CCC[C@@H]2[C@@H]1CC2(C)C.
What is the InChIKey of (1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one?
The InChIKey is SVROROODYLVLSH-CHWSQXEVSA-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/t12-,13-/m1/s1.
What are the key properties of (1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one?
(1S,9R)-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 (1S,9R)-10,10-dimethyl-2-methylidenebicyclo[7.2.0]undecan-5-one is sourced from PubChem (CID 10750808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).