1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane

C15H30 — CID 59745597

IUPAC1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane
SMILESCC(C)CCC1CCCCC1CC(C)C
InChIInChI=1S/C15H30/c1-12(2)9-10-14-7-5-6-8-15(14)11-13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyOGCXBFRGFWTVMC-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds5

About 1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane

1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane (PubChem CID 59745597) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane
PubChem CID59745597
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane
SMILESCC(C)CCC1CCCCC1CC(C)C
InChIInChI=1S/C15H30/c1-12(2)9-10-14-7-5-6-8-15(14)11-13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyOGCXBFRGFWTVMC-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
1-chloro-2-(3-methylbutyl)cycloheptane
CID 63459310
N-[[2-(3-methylbutyl)cyclopentyl]methyl]propan-2-amine
CID 81034843
trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane
CID 59105659
3-methylbutylcyclobutane;3-methylbutylcycloheptane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcycloheptane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159602512
1-cyclopentyl-2-(2-methylpropyl)cyclopentane
CID 57306943
2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol
CID 58242222
2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81024627
N-methyl-1-[2-(2-methylpropyl)cyclopentyl]methanamine
CID 81033789
N-methyl-2-(2-methylpropyl)cyclohexan-1-amine
CID 61382234
1-(2,6-dimethylheptyl)-2-ethylcyclohexane
CID 90996573
N-cyclopropyl-2-(3-methylbutyl)cyclopentan-1-amine
CID 115704595

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane?
The IUPAC name of 1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane (CID 59745597) is 1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane.
What is the SMILES notation for 1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane?
The canonical SMILES for 1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane is CC(C)CCC1CCCCC1CC(C)C.
What is the InChIKey of 1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane?
The InChIKey is OGCXBFRGFWTVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-12(2)9-10-14-7-5-6-8-15(14)11-13(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane?
1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane has a molecular weight of 210.40 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 59745597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).