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

C17H36 — CID 145356499

IUPAC1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane
SMILESCC.CC(C)CCC(C)CC1CCC(C)CC1
InChIInChI=1S/C15H30.C2H6/c1-12(2)5-6-14(4)11-15-9-7-13(3)8-10-15;1-2/h12-15H,5-11H2,1-4H3;1-2H3
InChIKeyKHSNJFOEMVZCRR-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.30
Rot. Bonds5

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

1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane (PubChem CID 145356499) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane.

Molecular Properties

Compound Name1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane
PubChem CID145356499
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane
SMILESCC.CC(C)CCC(C)CC1CCC(C)CC1
InChIInChI=1S/C15H30.C2H6/c1-12(2)5-6-14(4)11-15-9-7-13(3)8-10-15;1-2/h12-15H,5-11H2,1-4H3;1-2H3
InChIKeyKHSNJFOEMVZCRR-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,5-dimethylhexyl)-4-methylcyclohexane
CID 90937103
1-(2,5-dimethylhexyl)-3-ethylcyclohexane;ethane;pentane
CID 144926109
(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
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
ethane;(4-methylcyclohexyl)methanol
CID 142233866
ethane;[(2S)-2-methylbutyl]cyclopropane;molecular hydrogen
CID 145112018
4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane
CID 123783398

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane?
The IUPAC name of 1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane (CID 145356499) is 1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane.
What is the SMILES notation for 1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane?
The canonical SMILES for 1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane is CC.CC(C)CCC(C)CC1CCC(C)CC1.
What is the InChIKey of 1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane?
The InChIKey is KHSNJFOEMVZCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30.C2H6/c1-12(2)5-6-14(4)11-15-9-7-13(3)8-10-15;1-2/h12-15H,5-11H2,1-4H3;1-2H3.
What are the key properties of 1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane?
1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane has a molecular weight of 240.47 g/mol, XLogP of 6.30, 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;ethane is sourced from PubChem (CID 145356499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).