[1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene

C20H26 — CID 142142830

IUPAC[1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene
SMILESC=C(C1CC1C1CC1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H26/c1-15(18-14-19(18)16-10-11-16)20(12-6-3-7-13-20)17-8-4-2-5-9-17/h2,4-5,8-9,16,18-19H,1,3,6-7,10-14H2
InChIKeyHMVFIBWOEUKWMQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.49
Rot. Bonds4

About [1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene

[1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene (PubChem CID 142142830) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is [1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene.

Molecular Properties

Compound Name[1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene
PubChem CID142142830
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name[1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene
SMILESC=C(C1CC1C1CC1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H26/c1-15(18-14-19(18)16-10-11-16)20(12-6-3-7-13-20)17-8-4-2-5-9-17/h2,4-5,8-9,16,18-19H,1,3,6-7,10-14H2
InChIKeyHMVFIBWOEUKWMQ-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.49
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

[(8S)-4-methyl-4-azabicyclo[5.2.0]nonan-8-yl] 1-phenylcycloheptane-1-carboxylate
CID 70807097
cyclohexyl 1-phenylcyclohexane-1-carboxylate
CID 54206862
(1-hexa-1,5-dien-2-ylcyclohexyl)benzene
CID 143134347
1-[2-(1-phenylcyclopentyl)prop-2-enyl]piperidine
CID 130330382
(3Z,5E)-5-(1-phenylcyclohexyl)hepta-1,3,5-trien-2-ol
CID 143461732
[(8S)-4-azabicyclo[5.2.0]nonan-8-yl] 1-phenylcyclohexane-1-carboxylate
CID 71101523
N,N-diethyl-2-(1-phenylcycloheptyl)prop-2-en-1-amine
CID 130330510
N-(2-chloroprop-2-enyl)-1-phenylcyclopentane-1-carboxamide
CID 115636963
1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid
CID 117462129
(1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol
CID 10567298
(1S,2S,12S)-2-phenylbicyclo[10.1.0]tridecan-2-ol
CID 10564133
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone
CID 79561425

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene?
The IUPAC name of [1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene (CID 142142830) is [1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene.
What is the SMILES notation for [1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene?
The canonical SMILES for [1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene is C=C(C1CC1C1CC1)C1(c2ccccc2)CCCCC1.
What is the InChIKey of [1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene?
The InChIKey is HMVFIBWOEUKWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-15(18-14-19(18)16-10-11-16)20(12-6-3-7-13-20)17-8-4-2-5-9-17/h2,4-5,8-9,16,18-19H,1,3,6-7,10-14H2.
What are the key properties of [1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene?
[1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene has a molecular weight of 266.43 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-cyclopropylcyclopropyl)ethenyl]cyclohexyl]benzene is sourced from PubChem (CID 142142830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).