(1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one

C15H22O — CID 11031324

IUPAC(1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one
SMILESCC(C)=C1C[C@@]2(C)C(=O)[C@]3(C)CC[C@H]2[C@H]1C3
InChIInChI=1S/C15H22O/c1-9(2)10-8-15(4)12-5-6-14(3,13(15)16)7-11(10)12/h11-12H,5-8H2,1-4H3/t11-,12-,14+,15+/m0/s1
InChIKeyBJOQLXGPEXJJPW-DDHJSBNISA-N
MW218.34 g/mol
LogP3.74
Rot. Bonds

About (1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one

(1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one (PubChem CID 11031324) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one.

Molecular Properties

Compound Name(1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one
PubChem CID11031324
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one
SMILESCC(C)=C1C[C@@]2(C)C(=O)[C@]3(C)CC[C@H]2[C@H]1C3
InChIInChI=1S/C15H22O/c1-9(2)10-8-15(4)12-5-6-14(3,13(15)16)7-11(10)12/h11-12H,5-8H2,1-4H3/t11-,12-,14+,15+/m0/s1
InChIKeyBJOQLXGPEXJJPW-DDHJSBNISA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one with MolForge

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Related Compounds

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CID 6560191
3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one
CID 14632997
4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one
CID 130673696
(1S,3R,6S,7R,8S)-1,3-dimethyl-2,5-dioxotricyclo[4.3.1.03,7]decane-8-carbonitrile
CID 177487888
(1R,4R,7R)-7-bromo-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
CID 101256815
methyl (1R,3R,5S,6S,7S)-1-methyl-2-oxo-5-propan-2-yltricyclo[4.3.1.03,7]decane-3-carboxylate
CID 177418994
(1S,2S,5R,7S)-1,5-dimethyltricyclo[3.3.0.02,7]octan-6-one
CID 98043952
1,5,5-trimethyl-3-propan-2-ylidenebicyclo[2.1.1]hexane
CID 173074581
(1R,3S,6R,7S)-1,3-dimethyl-8-methylidene-5-prop-1-en-2-yltricyclo[4.3.1.03,7]decan-2-one
CID 10537452
5-hydroxy-1,7,7-trimethyl-2,6-dioxatricyclo[6.2.2.04,9]dodec-4-en-3-one
CID 134118554
(8R,9S,10R,13R)-10,13-dimethyl-1,2,6,7,8,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 7158347

Frequently Asked Questions

What is the IUPAC name of (1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one?
The IUPAC name of (1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one (CID 11031324) is (1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one.
What is the SMILES notation for (1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one?
The canonical SMILES for (1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one is CC(C)=C1C[C@@]2(C)C(=O)[C@]3(C)CC[C@H]2[C@H]1C3.
What is the InChIKey of (1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one?
The InChIKey is BJOQLXGPEXJJPW-DDHJSBNISA-N. The full InChI is InChI=1S/C15H22O/c1-9(2)10-8-15(4)12-5-6-14(3,13(15)16)7-11(10)12/h11-12H,5-8H2,1-4H3/t11-,12-,14+,15+/m0/s1.
What are the key properties of (1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one?
(1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one has a molecular weight of 218.34 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 (1R,3R,6R,7S)-1,3-dimethyl-5-propan-2-ylidenetricyclo[4.3.1.03,7]decan-2-one is sourced from PubChem (CID 11031324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).