5-butyl-1,2,3-trimethylcyclohexane

C13H26 — CID 91035844

IUPAC5-butyl-1,2,3-trimethylcyclohexane
SMILESCCCCC1CC(C)C(C)C(C)C1
InChIInChI=1S/C13H26/c1-5-6-7-13-8-10(2)12(4)11(3)9-13/h10-13H,5-9H2,1-4H3
InChIKeyGCZGQTMJGGHLNS-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds3

About 5-butyl-1,2,3-trimethylcyclohexane

5-butyl-1,2,3-trimethylcyclohexane (PubChem CID 91035844) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 5-butyl-1,2,3-trimethylcyclohexane.

Molecular Properties

Compound Name5-butyl-1,2,3-trimethylcyclohexane
PubChem CID91035844
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name5-butyl-1,2,3-trimethylcyclohexane
SMILESCCCCC1CC(C)C(C)C(C)C1
InChIInChI=1S/C13H26/c1-5-6-7-13-8-10(2)12(4)11(3)9-13/h10-13H,5-9H2,1-4H3
InChIKeyGCZGQTMJGGHLNS-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-butyl-6-methylbicyclo[3.1.1]heptane
CID 147909490
1-butyl-3,5-dipropylcyclohexane
CID 145132341
1-butyl-2,3,4,5-tetramethylcyclohexane
CID 167492243
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
1-(bromomethyl)-3-butylcyclobutane
CID 86245492
3-butyl-8-azabicyclo[3.2.1]octane
CID 68907966
bis(1-butyl-3-methylcyclopentane);carbanide;zirconium(4+)
CID 23232814
4-(3,4,5-trimethylcyclohexyl)butan-2-one
CID 123855820
2,6-dimethyl-4-propylcyclohexan-1-amine
CID 138691500
3-hexylbicyclo[3.1.0]hexane
CID 142241638
6-butyl-3-methylcycloheptane-1,2-diol
CID 123314380

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,2,3-trimethylcyclohexane?
The IUPAC name of 5-butyl-1,2,3-trimethylcyclohexane (CID 91035844) is 5-butyl-1,2,3-trimethylcyclohexane.
What is the SMILES notation for 5-butyl-1,2,3-trimethylcyclohexane?
The canonical SMILES for 5-butyl-1,2,3-trimethylcyclohexane is CCCCC1CC(C)C(C)C(C)C1.
What is the InChIKey of 5-butyl-1,2,3-trimethylcyclohexane?
The InChIKey is GCZGQTMJGGHLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-6-7-13-8-10(2)12(4)11(3)9-13/h10-13H,5-9H2,1-4H3.
What are the key properties of 5-butyl-1,2,3-trimethylcyclohexane?
5-butyl-1,2,3-trimethylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,2,3-trimethylcyclohexane is sourced from PubChem (CID 91035844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).