1-butyl-3,5-dipropylcyclohexane

C16H32 — CID 145132341

IUPAC1-butyl-3,5-dipropylcyclohexane
SMILESCCCCC1CC(CCC)CC(CCC)C1
InChIInChI=1S/C16H32/c1-4-7-10-16-12-14(8-5-2)11-15(13-16)9-6-3/h14-16H,4-13H2,1-3H3
InChIKeySCKMXFGTBUINTK-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.81
Rot. Bonds7

About 1-butyl-3,5-dipropylcyclohexane

1-butyl-3,5-dipropylcyclohexane (PubChem CID 145132341) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-butyl-3,5-dipropylcyclohexane.

Molecular Properties

Compound Name1-butyl-3,5-dipropylcyclohexane
PubChem CID145132341
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-butyl-3,5-dipropylcyclohexane
SMILESCCCCC1CC(CCC)CC(CCC)C1
InChIInChI=1S/C16H32/c1-4-7-10-16-12-14(8-5-2)11-15(13-16)9-6-3/h14-16H,4-13H2,1-3H3
InChIKeySCKMXFGTBUINTK-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(bromomethyl)-3-butylcyclobutane
CID 86245492
5-butyl-1,2,3-trimethylcyclohexane
CID 91035844
N-[(3-butylcyclobutyl)methyl]butan-1-amine
CID 97034533
3-butyl-6-methylbicyclo[3.1.1]heptane
CID 147909490
1-butyl-4-propylcyclononane
CID 123467552
1,4-dipropylcyclohexane;pentane
CID 90867354
[(1R,3S)-3-butylcyclopentyl]methanamine
CID 70345503
3-butyl-8-azabicyclo[3.2.1]octane
CID 68907966
3-butyl-5-ethylpiperidine
CID 177138974
1,3-dimethyl-5-propylcyclohexane
CID 13144142
3-hexylbicyclo[3.1.0]hexane
CID 142241638
1,3-dipentylcyclohexane
CID 54105663

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,5-dipropylcyclohexane?
The IUPAC name of 1-butyl-3,5-dipropylcyclohexane (CID 145132341) is 1-butyl-3,5-dipropylcyclohexane.
What is the SMILES notation for 1-butyl-3,5-dipropylcyclohexane?
The canonical SMILES for 1-butyl-3,5-dipropylcyclohexane is CCCCC1CC(CCC)CC(CCC)C1.
What is the InChIKey of 1-butyl-3,5-dipropylcyclohexane?
The InChIKey is SCKMXFGTBUINTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-4-7-10-16-12-14(8-5-2)11-15(13-16)9-6-3/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-butyl-3,5-dipropylcyclohexane?
1-butyl-3,5-dipropylcyclohexane has a molecular weight of 224.43 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,5-dipropylcyclohexane is sourced from PubChem (CID 145132341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).