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

C15H24O — CID 121415673

IUPAC1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone
SMILESC=C1CC[C@@H](C(C)=O)CC[C@@H]2[C@@H]1CC2(C)C
InChIInChI=1S/C15H24O/c1-10-5-6-12(11(2)16)7-8-14-13(10)9-15(14,3)4/h12-14H,1,5-9H2,2-4H3/t12-,13-,14-/m1/s1
InChIKeyQFHRAXLONSNTSZ-MGPQQGTHSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds1

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

1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone (PubChem CID 121415673) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone.

Molecular Properties

Compound Name1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone
PubChem CID121415673
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone
SMILESC=C1CC[C@@H](C(C)=O)CC[C@@H]2[C@@H]1CC2(C)C
InChIInChI=1S/C15H24O/c1-10-5-6-12(11(2)16)7-8-14-13(10)9-15(14,3)4/h12-14H,1,5-9H2,2-4H3/t12-,13-,14-/m1/s1
InChIKeyQFHRAXLONSNTSZ-MGPQQGTHSA-N
XLogP3.98
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 ≤ 53.98
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-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone?
The IUPAC name of 1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone (CID 121415673) is 1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone.
What is the SMILES notation for 1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone?
The canonical SMILES for 1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone is C=C1CC[C@@H](C(C)=O)CC[C@@H]2[C@@H]1CC2(C)C.
What is the InChIKey of 1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone?
The InChIKey is QFHRAXLONSNTSZ-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H24O/c1-10-5-6-12(11(2)16)7-8-14-13(10)9-15(14,3)4/h12-14H,1,5-9H2,2-4H3/t12-,13-,14-/m1/s1.
What are the key properties of 1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone?
1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone has a molecular weight of 220.36 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone is sourced from PubChem (CID 121415673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).