[2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene

C30H38O — CID 156540486

IUPAC[2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene
SMILESC=CC1(OC2(C=C)CCCCC2Cc2ccccc2)CCCCC1Cc1ccccc1
InChIInChI=1S/C30H38O/c1-3-29(21-13-11-19-27(29)23-25-15-7-5-8-16-25)31-30(4-2)22-14-12-20-28(30)24-26-17-9-6-10-18-26/h3-10,15-18,27-28H,1-2,11-14,19-24H2
InChIKeyGFURCTNZZMJYNS-UHFFFAOYSA-N
MW414.63 g/mol
LogP7.72
Rot. Bonds8

About [2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene

[2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene (PubChem CID 156540486) has the molecular formula C30H38O and a molecular weight of 414.63 g/mol. Its IUPAC name is [2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene.

Molecular Properties

Compound Name[2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene
PubChem CID156540486
Molecular FormulaC30H38O
Molecular Weight414.63 g/mol
Exact Mass414.29
IUPAC Name[2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene
SMILESC=CC1(OC2(C=C)CCCCC2Cc2ccccc2)CCCCC1Cc1ccccc1
InChIInChI=1S/C30H38O/c1-3-29(21-13-11-19-27(29)23-25-15-7-5-8-16-25)31-30(4-2)22-14-12-20-28(30)24-26-17-9-6-10-18-26/h3-10,15-18,27-28H,1-2,11-14,19-24H2
InChIKeyGFURCTNZZMJYNS-UHFFFAOYSA-N
XLogP7.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 57.72
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

[(1R,2R)-1-ethenyl-2-(3-phenylpropyl)cycloheptyl]oxy-trimethylsilane
CID 10687915
(4R,4aR,8aR)-4-benzyl-1,3,4,5,6,7,8,8a-octahydroisochromen-4a-ol
CID 160788342
[(2R)-2-benzyl-1-ethylcyclopentyl]-diphenylphosphane
CID 138723539
(2-benzyl-1-tert-butylcyclopentyl)methylbenzene
CID 173322340
(4R,4aS,8aS)-4-benzyl-2,3,4,5,6,7,8,8a-octahydrochromen-4a-ol
CID 161091453
cyclopentylmethylbenzene;formamide
CID 174870384
CID 162338619
CID 162338619
1-cyclohexylprop-2-enoxymethylbenzene
CID 14952087
1,3-dibenzylcyclooctane
CID 3045388
1-benzyl-6-ethyl-2-azaspiro[4.5]decan-3-one
CID 66105478
2-benzyl-1-[(4-methoxycarbonylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70257480
1-[(2,2-difluorocyclohexyl)methyl]-4-methylbenzene
CID 138600557

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene?
The IUPAC name of [2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene (CID 156540486) is [2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene.
What is the SMILES notation for [2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene?
The canonical SMILES for [2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene is C=CC1(OC2(C=C)CCCCC2Cc2ccccc2)CCCCC1Cc1ccccc1.
What is the InChIKey of [2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene?
The InChIKey is GFURCTNZZMJYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O/c1-3-29(21-13-11-19-27(29)23-25-15-7-5-8-16-25)31-30(4-2)22-14-12-20-28(30)24-26-17-9-6-10-18-26/h3-10,15-18,27-28H,1-2,11-14,19-24H2.
What are the key properties of [2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene?
[2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene has a molecular weight of 414.63 g/mol, XLogP of 7.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzyl-1-ethenylcyclohexyl)oxy-2-ethenylcyclohexyl]methylbenzene is sourced from PubChem (CID 156540486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).