2-ethyl-1-hexan-2-yl-3-methylcyclohexane

C15H30 — CID 123270961

IUPAC2-ethyl-1-hexan-2-yl-3-methylcyclohexane
SMILESCCCCC(C)C1CCCC(C)C1CC
InChIInChI=1S/C15H30/c1-5-7-9-13(4)15-11-8-10-12(3)14(15)6-2/h12-15H,5-11H2,1-4H3
InChIKeyVIFLMXXVRDNBNA-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds5

About 2-ethyl-1-hexan-2-yl-3-methylcyclohexane

2-ethyl-1-hexan-2-yl-3-methylcyclohexane (PubChem CID 123270961) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 2-ethyl-1-hexan-2-yl-3-methylcyclohexane.

Molecular Properties

Compound Name2-ethyl-1-hexan-2-yl-3-methylcyclohexane
PubChem CID123270961
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name2-ethyl-1-hexan-2-yl-3-methylcyclohexane
SMILESCCCCC(C)C1CCCC(C)C1CC
InChIInChI=1S/C15H30/c1-5-7-9-13(4)15-11-8-10-12(3)14(15)6-2/h12-15H,5-11H2,1-4H3
InChIKeyVIFLMXXVRDNBNA-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

cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
1-[(1R,2R)-2-methylcyclopentyl]pentan-1-ol
CID 102037625
1-hexan-2-yl-2,4,5-trimethylcycloheptane
CID 143344432
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane
CID 143260975
1-butan-2-yl-2-methylcyclohexane;hexane
CID 143477075
1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501
1-(2-methylcyclopentyl)heptan-1-amine
CID 107188178
1-(2-methylcyclopentyl)heptan-1-ol
CID 15118791
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434
N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine
CID 123669441

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-hexan-2-yl-3-methylcyclohexane?
The IUPAC name of 2-ethyl-1-hexan-2-yl-3-methylcyclohexane (CID 123270961) is 2-ethyl-1-hexan-2-yl-3-methylcyclohexane.
What is the SMILES notation for 2-ethyl-1-hexan-2-yl-3-methylcyclohexane?
The canonical SMILES for 2-ethyl-1-hexan-2-yl-3-methylcyclohexane is CCCCC(C)C1CCCC(C)C1CC.
What is the InChIKey of 2-ethyl-1-hexan-2-yl-3-methylcyclohexane?
The InChIKey is VIFLMXXVRDNBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-5-7-9-13(4)15-11-8-10-12(3)14(15)6-2/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-1-hexan-2-yl-3-methylcyclohexane?
2-ethyl-1-hexan-2-yl-3-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 2-ethyl-1-hexan-2-yl-3-methylcyclohexane is sourced from PubChem (CID 123270961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).