ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene

C32H60 — CID 167540027

IUPACethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene
SMILESCC.CC(C)CC1CCCCC1.CC(C)CCC1CCCCC1.CCCc1ccccc1
InChIInChI=1S/C11H22.C10H20.C9H12.C2H6/c1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-2-6-9-7-4-3-5-8-9;1-2/h10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;3-5,7-8H,2,6H2,1H3;1-2H3
InChIKeyBBFOLHFITRWXLD-UHFFFAOYSA-N
MW444.83 g/mol
LogP11.28
Rot. Bonds7

About ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene

ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene (PubChem CID 167540027) has the molecular formula C32H60 and a molecular weight of 444.83 g/mol. Its IUPAC name is ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene.

Molecular Properties

Compound Nameethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene
PubChem CID167540027
Molecular FormulaC32H60
Molecular Weight444.83 g/mol
Exact Mass444.47
IUPAC Nameethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene
SMILESCC.CC(C)CC1CCCCC1.CC(C)CCC1CCCCC1.CCCc1ccccc1
InChIInChI=1S/C11H22.C10H20.C9H12.C2H6/c1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-2-6-9-7-4-3-5-8-9;1-2/h10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;3-5,7-8H,2,6H2,1H3;1-2H3
InChIKeyBBFOLHFITRWXLD-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.83
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethylbenzene;ethylcyclohexane;2-methylpentane;pentane;propane;propylbenzene;propylcyclohexane
CID 161464946
3-methylbutylcyclobutane;3-methylbutylcycloheptane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcycloheptane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159602512
2-phenylethylcyclooctane
CID 54073487
(5-cyclohexyl-3-methoxypentyl)benzene
CID 143381268
1-cyclohexyl-5-phenylpentan-3-amine
CID 115793645
1-(4-cyclohexylbutan-2-yl)-2-propylbenzene
CID 142148571
3-cyclopentyl-1-(4-propylphenyl)propan-1-amine
CID 43106075
(1-cyclohexyl-5-phenylpentan-3-yl)hydrazine
CID 105285878
1-cyclohexyl-N-methyl-6-phenylhexan-3-amine
CID 115849338
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
4-cyclopentyl-N-ethyl-1-phenylbutan-2-amine
CID 63526556

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene?
The IUPAC name of ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene (CID 167540027) is ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene.
What is the SMILES notation for ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene?
The canonical SMILES for ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene is CC.CC(C)CC1CCCCC1.CC(C)CCC1CCCCC1.CCCc1ccccc1.
What is the InChIKey of ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene?
The InChIKey is BBFOLHFITRWXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C10H20.C9H12.C2H6/c1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)8-10-6-4-3-5-7-10;1-2-6-9-7-4-3-5-8-9;1-2/h10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;3-5,7-8H,2,6H2,1H3;1-2H3.
What are the key properties of ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene?
ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene has a molecular weight of 444.83 g/mol, XLogP of 11.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylbutylcyclohexane;2-methylpropylcyclohexane;propylbenzene is sourced from PubChem (CID 167540027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).