1-(2,5-dimethylhexyl)-4-methylcyclohexane

C15H30 — CID 90937103

IUPAC1-(2,5-dimethylhexyl)-4-methylcyclohexane
SMILESCC(C)CCC(C)CC1CCC(C)CC1
InChIInChI=1S/C15H30/c1-12(2)5-6-14(4)11-15-9-7-13(3)8-10-15/h12-15H,5-11H2,1-4H3
InChIKeyBPMNODMBZGASON-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds5

About 1-(2,5-dimethylhexyl)-4-methylcyclohexane

1-(2,5-dimethylhexyl)-4-methylcyclohexane (PubChem CID 90937103) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1-(2,5-dimethylhexyl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(2,5-dimethylhexyl)-4-methylcyclohexane
PubChem CID90937103
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1-(2,5-dimethylhexyl)-4-methylcyclohexane
SMILESCC(C)CCC(C)CC1CCC(C)CC1
InChIInChI=1S/C15H30/c1-12(2)5-6-14(4)11-15-9-7-13(3)8-10-15/h12-15H,5-11H2,1-4H3
InChIKeyBPMNODMBZGASON-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-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane
CID 145356499
(2S)-1-(4-methylcyclohexyl)propan-2-amine
CID 163792436
1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol
CID 174965331
2-methyltridecylcyclopropane
CID 123424034
[4-(2-methylpentyl)cyclohexyl]methanol
CID 129166925
2-methyl-3-(4-methylcyclohexyl)-N-propylpropan-1-amine
CID 64776338
(1S)-1-methyl-3-(3-methylbutyl)cyclopentane
CID 148998562
1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane
CID 144926109
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane
CID 123783398
1-methyl-4-[2-[4-(5-methylhexan-2-yl)cyclohexyl]ethynyl]cyclohexane
CID 145373315
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylhexyl)-4-methylcyclohexane?
The IUPAC name of 1-(2,5-dimethylhexyl)-4-methylcyclohexane (CID 90937103) is 1-(2,5-dimethylhexyl)-4-methylcyclohexane.
What is the SMILES notation for 1-(2,5-dimethylhexyl)-4-methylcyclohexane?
The canonical SMILES for 1-(2,5-dimethylhexyl)-4-methylcyclohexane is CC(C)CCC(C)CC1CCC(C)CC1.
What is the InChIKey of 1-(2,5-dimethylhexyl)-4-methylcyclohexane?
The InChIKey is BPMNODMBZGASON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-12(2)5-6-14(4)11-15-9-7-13(3)8-10-15/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-(2,5-dimethylhexyl)-4-methylcyclohexane?
1-(2,5-dimethylhexyl)-4-methylcyclohexane 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-(2,5-dimethylhexyl)-4-methylcyclohexane is sourced from PubChem (CID 90937103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).