[2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene

C18H20 — CID 145152257

IUPAC[2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene
SMILESC=C(C1C=CC=CC1)C1CC1(C)c1ccccc1
InChIInChI=1S/C18H20/c1-14(15-9-5-3-6-10-15)17-13-18(17,2)16-11-7-4-8-12-16/h3-9,11-12,15,17H,1,10,13H2,2H3
InChIKeyLHAVIWMHHCXQIP-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.65
Rot. Bonds3

About [2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene

[2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene (PubChem CID 145152257) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is [2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene.

Molecular Properties

Compound Name[2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene
PubChem CID145152257
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name[2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene
SMILESC=C(C1C=CC=CC1)C1CC1(C)c1ccccc1
InChIInChI=1S/C18H20/c1-14(15-9-5-3-6-10-15)17-13-18(17,2)16-11-7-4-8-12-16/h3-9,11-12,15,17H,1,10,13H2,2H3
InChIKeyLHAVIWMHHCXQIP-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.65
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

cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
[(1R,2R)-2-hexa-1,2-dien-3-yl-1-methylcyclopropyl]benzene
CID 145030351
aniline;5-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,3-diene
CID 142359042
3-cyclohexa-2,4-dien-1-yl-2-methyl-1-phenylbut-2-en-1-one
CID 151227666
2,3-dimethyl-3-phenylcyclobutan-1-ol
CID 175816648
[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanol
CID 15781967
(2-hydroxy-3-methylphenyl)-[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanone
CID 139114971
trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 102346584
N-cyclohexa-2,4-dien-1-yl-N-methylaniline
CID 15822281
2,3-diamino-3-cyclohexa-2,4-dien-1-yl-1-phenylprop-2-en-1-one
CID 154433755

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene?
The IUPAC name of [2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene (CID 145152257) is [2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene.
What is the SMILES notation for [2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene?
The canonical SMILES for [2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene is C=C(C1C=CC=CC1)C1CC1(C)c1ccccc1.
What is the InChIKey of [2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene?
The InChIKey is LHAVIWMHHCXQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-14(15-9-5-3-6-10-15)17-13-18(17,2)16-11-7-4-8-12-16/h3-9,11-12,15,17H,1,10,13H2,2H3.
What are the key properties of [2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene?
[2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene has a molecular weight of 236.36 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclohexa-2,4-dien-1-ylethenyl)-1-methylcyclopropyl]benzene is sourced from PubChem (CID 145152257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).