(1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one

C15H24O — CID 162910133

IUPAC(1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one
SMILESC=C1CC(=O)C[C@H](C)CC[C@H]2[C@H]1CC2(C)C
InChIInChI=1S/C15H24O/c1-10-5-6-14-13(9-15(14,3)4)11(2)8-12(16)7-10/h10,13-14H,2,5-9H2,1,3-4H3/t10-,13+,14+/m1/s1
InChIKeyXIFNHTVOUZHUCY-SWHYSGLUSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds

About (1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one

(1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one (PubChem CID 162910133) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one.

Molecular Properties

Compound Name(1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one
PubChem CID162910133
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one
SMILESC=C1CC(=O)C[C@H](C)CC[C@H]2[C@H]1CC2(C)C
InChIInChI=1S/C15H24O/c1-10-5-6-14-13(9-15(14,3)4)11(2)8-12(16)7-10/h10,13-14H,2,5-9H2,1,3-4H3/t10-,13+,14+/m1/s1
InChIKeyXIFNHTVOUZHUCY-SWHYSGLUSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one with MolForge

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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 (1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one?
The IUPAC name of (1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one (CID 162910133) is (1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one.
What is the SMILES notation for (1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one?
The canonical SMILES for (1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one is C=C1CC(=O)C[C@H](C)CC[C@H]2[C@H]1CC2(C)C.
What is the InChIKey of (1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one?
The InChIKey is XIFNHTVOUZHUCY-SWHYSGLUSA-N. The full InChI is InChI=1S/C15H24O/c1-10-5-6-14-13(9-15(14,3)4)11(2)8-12(16)7-10/h10,13-14H,2,5-9H2,1,3-4H3/t10-,13+,14+/m1/s1.
What are the key properties of (1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one?
(1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one has a molecular weight of 220.36 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,9S)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-4-one is sourced from PubChem (CID 162910133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).