1-ethyl-4-methylcyclohexane;2-methylprop-1-ene

C13H26 — CID 154678997

IUPAC1-ethyl-4-methylcyclohexane;2-methylprop-1-ene
SMILESC=C(C)C.CCC1CCC(C)CC1
InChIInChI=1S/C9H18.C4H8/c1-3-9-6-4-8(2)5-7-9;1-4(2)3/h8-9H,3-7H2,1-2H3;1H2,2-3H3
InChIKeySYHOLFYICSLAAD-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds1

About 1-ethyl-4-methylcyclohexane;2-methylprop-1-ene

1-ethyl-4-methylcyclohexane;2-methylprop-1-ene (PubChem CID 154678997) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-ethyl-4-methylcyclohexane;2-methylprop-1-ene.

Molecular Properties

Compound Name1-ethyl-4-methylcyclohexane;2-methylprop-1-ene
PubChem CID154678997
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-ethyl-4-methylcyclohexane;2-methylprop-1-ene
SMILESC=C(C)C.CCC1CCC(C)CC1
InChIInChI=1S/C9H18.C4H8/c1-3-9-6-4-8(2)5-7-9;1-4(2)3/h8-9H,3-7H2,1-2H3;1H2,2-3H3
InChIKeySYHOLFYICSLAAD-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
1-ethyl-4-methylcyclohexane;pentane
CID 159787850
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
4-ethyl-1,7-dimethylcyclododecane
CID 123234850
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
1-ethyl-4-methylcyclooctane;methane
CID 159989571
1-ethyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 19984734
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
2,2-dimethylpropane;ethane;ethylcyclopentane;2-methylprop-1-ene
CID 143356436
azane;ethylcyclopropane
CID 20975579

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylcyclohexane;2-methylprop-1-ene?
The IUPAC name of 1-ethyl-4-methylcyclohexane;2-methylprop-1-ene (CID 154678997) is 1-ethyl-4-methylcyclohexane;2-methylprop-1-ene.
What is the SMILES notation for 1-ethyl-4-methylcyclohexane;2-methylprop-1-ene?
The canonical SMILES for 1-ethyl-4-methylcyclohexane;2-methylprop-1-ene is C=C(C)C.CCC1CCC(C)CC1.
What is the InChIKey of 1-ethyl-4-methylcyclohexane;2-methylprop-1-ene?
The InChIKey is SYHOLFYICSLAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C4H8/c1-3-9-6-4-8(2)5-7-9;1-4(2)3/h8-9H,3-7H2,1-2H3;1H2,2-3H3.
What are the key properties of 1-ethyl-4-methylcyclohexane;2-methylprop-1-ene?
1-ethyl-4-methylcyclohexane;2-methylprop-1-ene has a molecular weight of 182.35 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylcyclohexane;2-methylprop-1-ene is sourced from PubChem (CID 154678997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).