1,3-dimethyl-5-propylcyclohexane

C11H22 — CID 13144142

IUPAC1,3-dimethyl-5-propylcyclohexane
SMILESCCCC1CC(C)CC(C)C1
InChIInChI=1S/C11H22/c1-4-5-11-7-9(2)6-10(3)8-11/h9-11H,4-8H2,1-3H3
InChIKeyZIYNLBOAOWGQEN-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds2

About 1,3-dimethyl-5-propylcyclohexane

1,3-dimethyl-5-propylcyclohexane (PubChem CID 13144142) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-propylcyclohexane.

Molecular Properties

Compound Name1,3-dimethyl-5-propylcyclohexane
PubChem CID13144142
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1,3-dimethyl-5-propylcyclohexane
SMILESCCCC1CC(C)CC(C)C1
InChIInChI=1S/C11H22/c1-4-5-11-7-9(2)6-10(3)8-11/h9-11H,4-8H2,1-3H3
InChIKeyZIYNLBOAOWGQEN-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-5-propylcyclohexane;ethane
CID 142054568
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
2,6-dimethyl-4-propylcyclohexan-1-amine
CID 138691500
1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol
CID 64730670
(3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine
CID 65424912

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propylcyclohexane?
The IUPAC name of 1,3-dimethyl-5-propylcyclohexane (CID 13144142) is 1,3-dimethyl-5-propylcyclohexane.
What is the SMILES notation for 1,3-dimethyl-5-propylcyclohexane?
The canonical SMILES for 1,3-dimethyl-5-propylcyclohexane is CCCC1CC(C)CC(C)C1.
What is the InChIKey of 1,3-dimethyl-5-propylcyclohexane?
The InChIKey is ZIYNLBOAOWGQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-5-11-7-9(2)6-10(3)8-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-propylcyclohexane?
1,3-dimethyl-5-propylcyclohexane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 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 is sourced from PubChem (CID 13144142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).