1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone

C15H26O — CID 121416110

IUPAC1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone
SMILESCC(=O)C1CCC(C)[C@@H]2CC(C)(C)[C@@H]2CC1
InChIInChI=1S/C15H26O/c1-10-5-6-12(11(2)16)7-8-14-13(10)9-15(14,3)4/h10,12-14H,5-9H2,1-4H3/t10?,12?,13-,14+/m0/s1
InChIKeyILGJTCJMYCMALC-AKUTZHFWSA-N
MW222.37 g/mol
LogP4.06
Rot. Bonds1

About 1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone

1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone (PubChem CID 121416110) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone.

Molecular Properties

Compound Name1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone
PubChem CID121416110
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone
SMILESCC(=O)C1CCC(C)[C@@H]2CC(C)(C)[C@@H]2CC1
InChIInChI=1S/C15H26O/c1-10-5-6-12(11(2)16)7-8-14-13(10)9-15(14,3)4/h10,12-14H,5-9H2,1-4H3/t10?,12?,13-,14+/m0/s1
InChIKeyILGJTCJMYCMALC-AKUTZHFWSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone?
The IUPAC name of 1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone (CID 121416110) is 1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone.
What is the SMILES notation for 1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone?
The canonical SMILES for 1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone is CC(=O)C1CCC(C)[C@@H]2CC(C)(C)[C@@H]2CC1.
What is the InChIKey of 1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone?
The InChIKey is ILGJTCJMYCMALC-AKUTZHFWSA-N. The full InChI is InChI=1S/C15H26O/c1-10-5-6-12(11(2)16)7-8-14-13(10)9-15(14,3)4/h10,12-14H,5-9H2,1-4H3/t10?,12?,13-,14+/m0/s1.
What are the key properties of 1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone?
1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone has a molecular weight of 222.37 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,8S)-7,10,10-trimethyl-4-bicyclo[6.2.0]decanyl]ethanone is sourced from PubChem (CID 121416110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).