bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane

C29H58 — CID 159474199

IUPACbis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
SMILESCC(C)CC1CCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCC1
InChIInChI=1S/2C10H20.C9H18/c2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9/h2*9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3
InChIKeyLWEFIPNPDQIKLA-UHFFFAOYSA-N
MW406.78 g/mol
LogP10.45
Rot. Bonds6

About bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane

bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane (PubChem CID 159474199) has the molecular formula C29H58 and a molecular weight of 406.78 g/mol. Its IUPAC name is bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane.

Molecular Properties

Compound Namebis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
PubChem CID159474199
Molecular FormulaC29H58
Molecular Weight406.78 g/mol
Exact Mass406.45
IUPAC Namebis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
SMILESCC(C)CC1CCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCC1
InChIInChI=1S/2C10H20.C9H18/c2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9/h2*9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3
InChIKeyLWEFIPNPDQIKLA-UHFFFAOYSA-N
XLogP10.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.78
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
methane;2-methylpropylcyclopentane
CID 161254337
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
CID 161332116
(1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane
CID 157285148
3-methylbutylcyclobutane;3-methylbutylcycloheptane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcycloheptane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159602512
1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane
CID 162072705
(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668
2,3-dimethylbutylcyclodecane
CID 123220792
3-(2-methylpropyl)-azacyclododecane
CID 18705357
3-(2-methylpropyl)azecane
CID 91499893

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane?
The IUPAC name of bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane (CID 159474199) is bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane.
What is the SMILES notation for bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane?
The canonical SMILES for bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane is CC(C)CC1CCCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCC1.
What is the InChIKey of bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane?
The InChIKey is LWEFIPNPDQIKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20.C9H18/c2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9/h2*9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3.
What are the key properties of bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane?
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane has a molecular weight of 406.78 g/mol, XLogP of 10.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane is sourced from PubChem (CID 159474199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).