ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene

C17H24 — CID 143799538

IUPACethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene
SMILESCC.Cc1ccc(CC23C=CC(CC2)C3)cc1
InChIInChI=1S/C15H18.C2H6/c1-12-2-4-13(5-3-12)10-15-8-6-14(11-15)7-9-15;1-2/h2-6,8,14H,7,9-11H2,1H3;1-2H3
InChIKeyVGACQVZJUVTMGW-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.92
Rot. Bonds2

About ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene

ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 143799538) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Nameethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene
PubChem CID143799538
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Nameethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene
SMILESCC.Cc1ccc(CC23C=CC(CC2)C3)cc1
InChIInChI=1S/C15H18.C2H6/c1-12-2-4-13(5-3-12)10-15-8-6-14(11-15)7-9-15;1-2/h2-6,8,14H,7,9-11H2,1H3;1-2H3
InChIKeyVGACQVZJUVTMGW-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene
CID 66048468
1-methyl-4-[(1,2,5-trimethylcyclohexyl)methyl]benzene
CID 162287885
4-(hydroxymethyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol
CID 112745441
1-phenylbicyclo[2.2.1]hept-2-ene;toluene
CID 86643590
1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene
CID 84722324
[4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine
CID 63523406
1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane
CID 84784252
9-[2-[(1S,4S)-1-bicyclo[2.2.1]hept-2-enyl]ethyl]-3,6-ditert-butylcarbazole
CID 141242976
[1-[(4-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65423125
2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid
CID 22978374
methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate
CID 139688530
4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 112745348

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene (CID 143799538) is ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene is CC.Cc1ccc(CC23C=CC(CC2)C3)cc1.
What is the InChIKey of ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is VGACQVZJUVTMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C2H6/c1-12-2-4-13(5-3-12)10-15-8-6-14(11-15)7-9-15;1-2/h2-6,8,14H,7,9-11H2,1H3;1-2H3.
What are the key properties of ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene?
ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 228.38 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 143799538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).