ethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone

C25H38O — CID 143850311

IUPACethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone
SMILESC=C1CCCC(C(=O)C2CCC(CCC)(c3ccccc3)CC2)C1.CC
InChIInChI=1S/C23H32O.C2H6/c1-3-14-23(21-10-5-4-6-11-21)15-12-19(13-16-23)22(24)20-9-7-8-18(2)17-20;1-2/h4-6,10-11,19-20H,2-3,7-9,12-17H2,1H3;1-2H3
InChIKeyHMQOYAFWNLWYTJ-UHFFFAOYSA-N
MW354.58 g/mol
LogP7.26
Rot. Bonds5

About ethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone

ethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone (PubChem CID 143850311) has the molecular formula C25H38O and a molecular weight of 354.58 g/mol. Its IUPAC name is ethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone.

Molecular Properties

Compound Nameethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone
PubChem CID143850311
Molecular FormulaC25H38O
Molecular Weight354.58 g/mol
Exact Mass354.29
IUPAC Nameethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone
SMILESC=C1CCCC(C(=O)C2CCC(CCC)(c3ccccc3)CC2)C1.CC
InChIInChI=1S/C23H32O.C2H6/c1-3-14-23(21-10-5-4-6-11-21)15-12-19(13-16-23)22(24)20-9-7-8-18(2)17-20;1-2/h4-6,10-11,19-20H,2-3,7-9,12-17H2,1H3;1-2H3
InChIKeyHMQOYAFWNLWYTJ-UHFFFAOYSA-N
XLogP7.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 57.26
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

3-phenyl-3-propylcyclopentane-1-carbaldehyde
CID 154684194
3-(1-phenylcyclobutyl)propanoic acid
CID 91807231
tert-butyl N-[(1-formyl-4-phenylpiperidin-4-yl)methyl]-N-methylcarbamate;ethane;1-(1-methoxyethyl)-3-methylidenecyclohexane
CID 143635764
tert-butyl 4-(2-oxoethyl)-4-phenylcyclooctane-1-carboxylate
CID 163438106
(4,4-difluorocyclohexyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893040
(1-butylcyclobutyl)benzene
CID 57200184
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
2-(1-propylcyclohexyl)benzoic acid
CID 174854619
[4-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-4-phenylpiperidin-1-yl]-cyclopentylmethanone
CID 141199608
N-[[(1R,4S,5S)-4-hydroxy-1-phenyl-5-pyrrolidin-1-ylcycloheptyl]methyl]propanamide
CID 110159901
N-[[(1R,4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)-1-phenylcycloheptyl]methyl]cyclobutanecarboxamide
CID 110159910
N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide
CID 162968981

Frequently Asked Questions

What is the IUPAC name of ethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone?
The IUPAC name of ethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone (CID 143850311) is ethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone.
What is the SMILES notation for ethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone?
The canonical SMILES for ethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone is C=C1CCCC(C(=O)C2CCC(CCC)(c3ccccc3)CC2)C1.CC.
What is the InChIKey of ethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone?
The InChIKey is HMQOYAFWNLWYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O.C2H6/c1-3-14-23(21-10-5-4-6-11-21)15-12-19(13-16-23)22(24)20-9-7-8-18(2)17-20;1-2/h4-6,10-11,19-20H,2-3,7-9,12-17H2,1H3;1-2H3.
What are the key properties of ethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone?
ethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone has a molecular weight of 354.58 g/mol, XLogP of 7.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-methylidenecyclohexyl)-(4-phenyl-4-propylcyclohexyl)methanone is sourced from PubChem (CID 143850311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).