2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane

C40H88 — CID 160935897

IUPAC2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane
SMILESC.C.CC(C)C(C)(C)C.CC(C)C1CCCCC1.CC(C)CC1CC1.CC(C)CC1CCC1.CCC(C)C(C)C
InChIInChI=1S/C9H18.C8H16.C7H14.2C7H16.2CH4/c1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-4-3-5-8;1-6(2)5-7-3-4-7;1-6(2)7(3,4)5;1-5-7(4)6(2)3;;/h8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;2*1H4
InChIKeySTWGCGOVRYQSJK-UHFFFAOYSA-N
MW569.14 g/mol
LogP15.15
Rot. Bonds7

About 2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane

2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane (PubChem CID 160935897) has the molecular formula C40H88 and a molecular weight of 569.14 g/mol. Its IUPAC name is 2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane.

Molecular Properties

Compound Name2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane
PubChem CID160935897
Molecular FormulaC40H88
Molecular Weight569.14 g/mol
Exact Mass568.69
IUPAC Name2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane
SMILESC.C.CC(C)C(C)(C)C.CC(C)C1CCCCC1.CC(C)CC1CC1.CC(C)CC1CCC1.CCC(C)C(C)C
InChIInChI=1S/C9H18.C8H16.C7H14.2C7H16.2CH4/c1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-4-3-5-8;1-6(2)5-7-3-4-7;1-6(2)7(3,4)5;1-5-7(4)6(2)3;;/h8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;2*1H4
InChIKeySTWGCGOVRYQSJK-UHFFFAOYSA-N
XLogP15.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.14
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane with MolForge

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Related Compounds

2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
CID 161332116
methane;2-methylpropylcyclopentane
CID 161254337
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
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
(1-cyclohexyl-2-methylpropyl)cyclohexane;ethane;2-methylpropylcyclohexane
CID 157285148
1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane
CID 159993234
2,3-dimethylbutylcyclodecane
CID 123220792
methane;2-methylhexane;1-methyl-4-propan-2-ylcyclohexane;2-methylpropylcyclohexane;2,3,5-trimethylhexane
CID 159178653

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane?
The IUPAC name of 2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane (CID 160935897) is 2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane.
What is the SMILES notation for 2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane?
The canonical SMILES for 2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane is C.C.CC(C)C(C)(C)C.CC(C)C1CCCCC1.CC(C)CC1CC1.CC(C)CC1CCC1.CCC(C)C(C)C.
What is the InChIKey of 2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane?
The InChIKey is STWGCGOVRYQSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C8H16.C7H14.2C7H16.2CH4/c1-8(2)9-6-4-3-5-7-9;1-7(2)6-8-4-3-5-8;1-6(2)5-7-3-4-7;1-6(2)7(3,4)5;1-5-7(4)6(2)3;;/h8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;2*1H4.
What are the key properties of 2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane?
2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane has a molecular weight of 569.14 g/mol, XLogP of 15.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane is sourced from PubChem (CID 160935897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).