acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene

C24H30 — CID 91246286

IUPACacetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
SMILESC#C.Cc1ccc(CCc2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H28.C2H2/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21;1-2/h3-4,7-8,11-12,15-16,18,21H,5-6,9-10,13-14H2,1-2H3;1-2H
InChIKeyBYOWYSGHDJHXSL-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.32
Rot. Bonds4

About acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene

acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene (PubChem CID 91246286) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Nameacetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
PubChem CID91246286
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Nameacetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
SMILESC#C.Cc1ccc(CCc2ccc(C3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H28.C2H2/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21;1-2/h3-4,7-8,11-12,15-16,18,21H,5-6,9-10,13-14H2,1-2H3;1-2H
InChIKeyBYOWYSGHDJHXSL-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
CID 158300950
2-methyl-1-[4-(4-methylcyclohexyl)phenyl]-4-[2-(4-methylphenyl)ethyl]benzene
CID 59931336
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20599389
1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone
CID 59938752
4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline
CID 67733492
1,4-bis(4-methylphenyl)benzene;1-(fluoromethoxy)-4-methylbenzene;1-fluoro-4-methylbenzene;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[2-(4-methylphenyl)ethyl]benzene
CID 167583107
ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene
CID 54304761
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)benzene
CID 163396253

Frequently Asked Questions

What is the IUPAC name of acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene?
The IUPAC name of acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene (CID 91246286) is acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene.
What is the SMILES notation for acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene?
The canonical SMILES for acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene is C#C.Cc1ccc(CCc2ccc(C3CCC(C)CC3)cc2)cc1.
What is the InChIKey of acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene?
The InChIKey is BYOWYSGHDJHXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28.C2H2/c1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)21-13-5-18(2)6-14-21;1-2/h3-4,7-8,11-12,15-16,18,21H,5-6,9-10,13-14H2,1-2H3;1-2H.
What are the key properties of acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene?
acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene has a molecular weight of 318.50 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene is sourced from PubChem (CID 91246286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).