1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane

C28H56 — CID 159993234

IUPAC1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C(C)(C)C(C)C)CC1.CC(C)CC1CCC(C(C)C)CC1
InChIInChI=1S/C15H30.C13H26/c1-11(2)13-7-9-14(10-8-13)15(5,6)12(3)4;1-10(2)9-12-5-7-13(8-6-12)11(3)4/h11-14H,7-10H2,1-6H3;10-13H,5-9H2,1-4H3
InChIKeyOHFHDVRIXWUVRY-UHFFFAOYSA-N
MW392.76 g/mol
LogP9.63
Rot. Bonds6

About 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane

1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane (PubChem CID 159993234) has the molecular formula C28H56 and a molecular weight of 392.76 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane
PubChem CID159993234
Molecular FormulaC28H56
Molecular Weight392.76 g/mol
Exact Mass392.44
IUPAC Name1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(C(C)(C)C(C)C)CC1.CC(C)CC1CCC(C(C)C)CC1
InChIInChI=1S/C15H30.C13H26/c1-11(2)13-7-9-14(10-8-13)15(5,6)12(3)4;1-10(2)9-12-5-7-13(8-6-12)11(3)4/h11-14H,7-10H2,1-6H3;10-13H,5-9H2,1-4H3
InChIKeyOHFHDVRIXWUVRY-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane with MolForge

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Related Compounds

(2-cyclopropyl-3-methylbutan-2-yl)cyclopropane;ethane;methane;[(2S)-3-methylbutan-2-yl]cyclopropane;[(2R)-3-methylbutan-2-yl]cyclopropane;3-methylbutan-2-ylcyclopropane;2-methylpropylcyclopropane
CID 160815152
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
1-(2-methylpropyl)-4-(trifluoromethyl)cyclohexane
CID 71231425
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 154060378
2,3-dimethylpentane;methane;2-methylpropylcyclobutane;2-methylpropylcyclopropane;propan-2-ylcyclohexane;2,2,3-trimethylbutane
CID 160935897
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
methane;2-methylpropylcyclopentane
CID 161254337
1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol
CID 118424353
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
4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane
CID 142139515

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane?
The IUPAC name of 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane (CID 159993234) is 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane is CC(C)C1CCC(C(C)(C)C(C)C)CC1.CC(C)CC1CCC(C(C)C)CC1.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane?
The InChIKey is OHFHDVRIXWUVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30.C13H26/c1-11(2)13-7-9-14(10-8-13)15(5,6)12(3)4;1-10(2)9-12-5-7-13(8-6-12)11(3)4/h11-14H,7-10H2,1-6H3;10-13H,5-9H2,1-4H3.
What are the key properties of 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane?
1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane has a molecular weight of 392.76 g/mol, XLogP of 9.63, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yl)-4-propan-2-ylcyclohexane;1-(2-methylpropyl)-4-propan-2-ylcyclohexane is sourced from PubChem (CID 159993234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).