ethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone

C17H32O — CID 142400933

IUPACethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone
SMILESC=C(C)C1(C)CC(C)(C)CC(C)(C(C)=O)C1.CC
InChIInChI=1S/C15H26O.C2H6/c1-11(2)14(6)8-13(4,5)9-15(7,10-14)12(3)16;1-2/h1,8-10H2,2-7H3;1-2H3
InChIKeyLXANRPOXUSOBSC-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.40
Rot. Bonds2

About ethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone

ethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone (PubChem CID 142400933) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is ethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone.

Molecular Properties

Compound Nameethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone
PubChem CID142400933
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Nameethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone
SMILESC=C(C)C1(C)CC(C)(C)CC(C)(C(C)=O)C1.CC
InChIInChI=1S/C15H26O.C2H6/c1-11(2)14(6)8-13(4,5)9-15(7,10-14)12(3)16;1-2/h1,8-10H2,2-7H3;1-2H3
InChIKeyLXANRPOXUSOBSC-UHFFFAOYSA-N
XLogP5.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane
CID 123266453
1-(1-methyl-3-methylidenecyclobutyl)ethanone
CID 20614511
1,3-dimethylcyclobutane-1,3-dicarboxylic acid
CID 13026828
1-(4-methylthian-4-yl)ethanone
CID 115012413
1,1,3-trimethyl-3-(2-methylprop-2-enyl)cyclobutane
CID 171620103
2-methyl-1-[(1R,5S)-1,3,5-trimethyl-3-(3-methylbut-1-en-2-yl)-5-(2-methylpropanoyl)cyclohexyl]propan-1-one
CID 161466830
1-(3-acetyl-1-bicyclo[1.1.1]pentanyl)ethanone
CID 11159413
5-(hydroxymethyl)-1,3,5-trimethylcyclohexane-1,3-dicarboxylic acid
CID 129120880
ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen
CID 166075553
(1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylic acid
CID 86313116
1-hydroxy-3,3-dimethylcyclobutane-1-carboxamide
CID 127007168
ethane;1-(1-fluorocyclohexyl)ethanone
CID 177366175

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone?
The IUPAC name of ethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone (CID 142400933) is ethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone.
What is the SMILES notation for ethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone?
The canonical SMILES for ethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone is C=C(C)C1(C)CC(C)(C)CC(C)(C(C)=O)C1.CC.
What is the InChIKey of ethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone?
The InChIKey is LXANRPOXUSOBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O.C2H6/c1-11(2)14(6)8-13(4,5)9-15(7,10-14)12(3)16;1-2/h1,8-10H2,2-7H3;1-2H3.
What are the key properties of ethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone?
ethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone has a molecular weight of 252.44 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone is sourced from PubChem (CID 142400933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).