1,3-dimethyl-5-propylcyclohexane;ethane

C13H28 — CID 142054568

IUPAC1,3-dimethyl-5-propylcyclohexane;ethane
SMILESCC.CCCC1CC(C)CC(C)C1
InChIInChI=1S/C11H22.C2H6/c1-4-5-11-7-9(2)6-10(3)8-11;1-2/h9-11H,4-8H2,1-3H3;1-2H3
InChIKeyORAALCIQYMAIMA-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds2

About 1,3-dimethyl-5-propylcyclohexane;ethane

1,3-dimethyl-5-propylcyclohexane;ethane (PubChem CID 142054568) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 1,3-dimethyl-5-propylcyclohexane;ethane.

Molecular Properties

Compound Name1,3-dimethyl-5-propylcyclohexane;ethane
PubChem CID142054568
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name1,3-dimethyl-5-propylcyclohexane;ethane
SMILESCC.CCCC1CC(C)CC(C)C1
InChIInChI=1S/C11H22.C2H6/c1-4-5-11-7-9(2)6-10(3)8-11;1-2/h9-11H,4-8H2,1-3H3;1-2H3
InChIKeyORAALCIQYMAIMA-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-5-propylcyclohexane
CID 13144142
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
N-[(3-methyl-5-propylcyclohexyl)methyl]formamide
CID 135142700
1-(3,5-dimethylcyclohexyl)hexan-3-ol
CID 64730162
1-methyl-3-(3-methylhexyl)cyclobutane
CID 90803912
1-butyl-3,5-dipropylcyclohexane
CID 145132341
2-(3-methylcyclobutyl)ethanol
CID 59157244
1,4-dimethyl-2-propylcyclopentane;ethane
CID 155717345
2,6-dimethyl-4-propylcyclohexan-1-amine
CID 138691500
1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol
CID 64730670

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propylcyclohexane;ethane?
The IUPAC name of 1,3-dimethyl-5-propylcyclohexane;ethane (CID 142054568) is 1,3-dimethyl-5-propylcyclohexane;ethane.
What is the SMILES notation for 1,3-dimethyl-5-propylcyclohexane;ethane?
The canonical SMILES for 1,3-dimethyl-5-propylcyclohexane;ethane is CC.CCCC1CC(C)CC(C)C1.
What is the InChIKey of 1,3-dimethyl-5-propylcyclohexane;ethane?
The InChIKey is ORAALCIQYMAIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C2H6/c1-4-5-11-7-9(2)6-10(3)8-11;1-2/h9-11H,4-8H2,1-3H3;1-2H3.
What are the key properties of 1,3-dimethyl-5-propylcyclohexane;ethane?
1,3-dimethyl-5-propylcyclohexane;ethane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propylcyclohexane;ethane is sourced from PubChem (CID 142054568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).