3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane

C37H74 — CID 161332116

IUPAC3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
SMILESCC(C)C(C)C1CCCCC1.CC(C)CC1CCC1.CC(C)CC1CCC1.CC(C)CC1CCCCC1
InChIInChI=1S/C11H22.C10H20.2C8H16/c1-9(2)10(3)11-7-5-4-6-8-11;1-9(2)8-10-6-4-3-5-7-10;2*1-7(2)6-8-4-3-5-8/h9-11H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;2*7-8H,3-6H2,1-2H3
InChIKeyVLOCWPKGTXTBIO-UHFFFAOYSA-N
MW519.00 g/mol
LogP13.14
Rot. Bonds8

About 3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane

3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane (PubChem CID 161332116) has the molecular formula C37H74 and a molecular weight of 519.00 g/mol. Its IUPAC name is 3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane.

Molecular Properties

Compound Name3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
PubChem CID161332116
Molecular FormulaC37H74
Molecular Weight519.00 g/mol
Exact Mass518.58
IUPAC Name3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
SMILESCC(C)C(C)C1CCCCC1.CC(C)CC1CCC1.CC(C)CC1CCC1.CC(C)CC1CCCCC1
InChIInChI=1S/C11H22.C10H20.2C8H16/c1-9(2)10(3)11-7-5-4-6-8-11;1-9(2)8-10-6-4-3-5-7-10;2*1-7(2)6-8-4-3-5-8/h9-11H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;2*7-8H,3-6H2,1-2H3
InChIKeyVLOCWPKGTXTBIO-UHFFFAOYSA-N
XLogP13.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.00
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane with MolForge

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Related Compounds

bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
(1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane
CID 157285148
methane;2-methylpropylcyclopentane
CID 161254337
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
3-methylbutylcyclobutane;3-methylbutylcycloheptane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcycloheptane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159602512
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
1-methyl-4-(3-methylbutan-2-yl)cycloheptane
CID 123691216
(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
CID 143562846
2,3-dimethylbutylcyclodecane
CID 123220792

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane?
The IUPAC name of 3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane (CID 161332116) is 3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane.
What is the SMILES notation for 3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane?
The canonical SMILES for 3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane is CC(C)C(C)C1CCCCC1.CC(C)CC1CCC1.CC(C)CC1CCC1.CC(C)CC1CCCCC1.
What is the InChIKey of 3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane?
The InChIKey is VLOCWPKGTXTBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C10H20.2C8H16/c1-9(2)10(3)11-7-5-4-6-8-11;1-9(2)8-10-6-4-3-5-7-10;2*1-7(2)6-8-4-3-5-8/h9-11H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;2*7-8H,3-6H2,1-2H3.
What are the key properties of 3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane?
3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane has a molecular weight of 519.00 g/mol, XLogP of 13.14, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane is sourced from PubChem (CID 161332116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).