ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane

C18H40 — CID 144507767

IUPACethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane
SMILESCC.CCC.CCC(C)CC1CCC(CC)CC1
InChIInChI=1S/C13H26.C3H8.C2H6/c1-4-11(3)10-13-8-6-12(5-2)7-9-13;1-3-2;1-2/h11-13H,4-10H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyJBSZIMPFHNRHHN-UHFFFAOYSA-N
MW256.52 g/mol
LogP7.08
Rot. Bonds4

About ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane

ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane (PubChem CID 144507767) has the molecular formula C18H40 and a molecular weight of 256.52 g/mol. Its IUPAC name is ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane.

Molecular Properties

Compound Nameethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane
PubChem CID144507767
Molecular FormulaC18H40
Molecular Weight256.52 g/mol
Exact Mass256.31
IUPAC Nameethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane
SMILESCC.CCC.CCC(C)CC1CCC(CC)CC1
InChIInChI=1S/C13H26.C3H8.C2H6/c1-4-11(3)10-13-8-6-12(5-2)7-9-13;1-3-2;1-2/h11-13H,4-10H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyJBSZIMPFHNRHHN-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.52
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;[(2S)-2-methylbutyl]cyclopropane;molecular hydrogen
CID 145112018
[4-(2-methylbutyl)cyclohexyl]methanamine
CID 130208059
azane;2-methylbutylcyclohexane
CID 143986613
ethane;ethylcyclopropane
CID 91380076
[4-(2-methylbutyl)cyclohexyl] formate
CID 118946894
azane;ethylcyclopropane
CID 20975579
ethane;1-ethyl-4-propylcyclohexane;2-methylpropane
CID 166536374
1-ethyl-4-(5-methylhexan-3-yl)cyclohexane
CID 123334269
1-ethyl-4-propan-2-ylcyclohexane;propan-2-ylcycloheptane;propan-2-ylcyclopentane
CID 159304571
2,2-dicyclopropyl-1-(4-ethylcyclohexyl)ethanol
CID 112743634
[4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 6422642
4-ethyl-N-(3-ethylpentan-2-yl)cyclohexan-1-amine
CID 63842608

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane?
The IUPAC name of ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane (CID 144507767) is ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane.
What is the SMILES notation for ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane?
The canonical SMILES for ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane is CC.CCC.CCC(C)CC1CCC(CC)CC1.
What is the InChIKey of ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane?
The InChIKey is JBSZIMPFHNRHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26.C3H8.C2H6/c1-4-11(3)10-13-8-6-12(5-2)7-9-13;1-3-2;1-2/h11-13H,4-10H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane?
ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane has a molecular weight of 256.52 g/mol, XLogP of 7.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane is sourced from PubChem (CID 144507767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).