1-ethyl-4-(5-methylhexan-3-yl)cyclohexane

C15H30 — CID 123334269

IUPAC1-ethyl-4-(5-methylhexan-3-yl)cyclohexane
SMILESCCC1CCC(C(CC)CC(C)C)CC1
InChIInChI=1S/C15H30/c1-5-13-7-9-15(10-8-13)14(6-2)11-12(3)4/h12-15H,5-11H2,1-4H3
InChIKeyXGJUGEBAWIQXLQ-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds5

About 1-ethyl-4-(5-methylhexan-3-yl)cyclohexane

1-ethyl-4-(5-methylhexan-3-yl)cyclohexane (PubChem CID 123334269) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1-ethyl-4-(5-methylhexan-3-yl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-(5-methylhexan-3-yl)cyclohexane
PubChem CID123334269
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1-ethyl-4-(5-methylhexan-3-yl)cyclohexane
SMILESCCC1CCC(C(CC)CC(C)C)CC1
InChIInChI=1S/C15H30/c1-5-13-7-9-15(10-8-13)14(6-2)11-12(3)4/h12-15H,5-11H2,1-4H3
InChIKeyXGJUGEBAWIQXLQ-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

[(3S)-5-methylhexan-3-yl]cyclopentane
CID 152864730
pentan-3-ylcyclopropane
CID 19042038
5-methylhexan-3-ylcyclohexane;prop-1-ene
CID 143963262
N-ethyl-1-(4-ethylcyclohexyl)-3-methylbutan-1-amine
CID 64776246
4-(5-methylhexan-3-yl)cyclopentene
CID 123960075
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
CID 159304571
N-[(4-ethylcyclohexyl)methyl]-2,6-dimethylheptan-4-amine
CID 63451824
3-amino-2-(4-ethylcyclohexyl)propan-1-ol
CID 165446079
1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane
CID 79298120
ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane
CID 144507767
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(5-methylhexan-3-yl)cyclohexane?
The IUPAC name of 1-ethyl-4-(5-methylhexan-3-yl)cyclohexane (CID 123334269) is 1-ethyl-4-(5-methylhexan-3-yl)cyclohexane.
What is the SMILES notation for 1-ethyl-4-(5-methylhexan-3-yl)cyclohexane?
The canonical SMILES for 1-ethyl-4-(5-methylhexan-3-yl)cyclohexane is CCC1CCC(C(CC)CC(C)C)CC1.
What is the InChIKey of 1-ethyl-4-(5-methylhexan-3-yl)cyclohexane?
The InChIKey is XGJUGEBAWIQXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-5-13-7-9-15(10-8-13)14(6-2)11-12(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-ethyl-4-(5-methylhexan-3-yl)cyclohexane?
1-ethyl-4-(5-methylhexan-3-yl)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-ethyl-4-(5-methylhexan-3-yl)cyclohexane is sourced from PubChem (CID 123334269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).