2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one

C15H22O — CID 90888047

IUPAC2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one
SMILESCC(=C=O)[C@H]1CC=C(C)CCC=C(C)CC1
InChIInChI=1S/C15H22O/c1-12-5-4-6-13(2)8-10-15(9-7-12)14(3)11-16/h5,8,15H,4,6-7,9-10H2,1-3H3/t15-/m1/s1
InChIKeyHYXZEQZOBNEJQZ-OAHLLOKOSA-N
MW218.34 g/mol
LogP4.24
Rot. Bonds1

About 2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one

2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one (PubChem CID 90888047) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one.

Molecular Properties

Compound Name2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one
PubChem CID90888047
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one
SMILESCC(=C=O)[C@H]1CC=C(C)CCC=C(C)CC1
InChIInChI=1S/C15H22O/c1-12-5-4-6-13(2)8-10-15(9-7-12)14(3)11-16/h5,8,15H,4,6-7,9-10H2,1-3H3/t15-/m1/s1
InChIKeyHYXZEQZOBNEJQZ-OAHLLOKOSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one
CID 87760907
(1E,5E,8R,10R)-1,5-dimethyl-8,10-bis(prop-1-en-2-yl)cyclododeca-1,5-diene
CID 14192378
2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol
CID 162979142
(8R)-1,5-dimethyl-8-(6-methylhepta-2,5-dien-2-yl)cyclodeca-1,5-diene
CID 162972560
1-(4-methylcyclohex-3-en-1-yl)propane-1,2-dione
CID 130027299
(1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol
CID 162887924
2-methyl-1-(4-methylcyclohex-3-en-1-yl)propan-1-one
CID 89484122
4-[(E)-1-chloroprop-1-en-2-yl]-1-methylcyclohexene
CID 127260694
(1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol
CID 10266146
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
CID 101418223
ethane-1,2-diol;1-methyl-4-prop-1-en-2-ylcyclohexene
CID 67811623

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one?
The IUPAC name of 2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one (CID 90888047) is 2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one.
What is the SMILES notation for 2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one?
The canonical SMILES for 2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one is CC(=C=O)[C@H]1CC=C(C)CCC=C(C)CC1.
What is the InChIKey of 2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one?
The InChIKey is HYXZEQZOBNEJQZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22O/c1-12-5-4-6-13(2)8-10-15(9-7-12)14(3)11-16/h5,8,15H,4,6-7,9-10H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one?
2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one has a molecular weight of 218.34 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one is sourced from PubChem (CID 90888047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).