1-butyl-4-propylcyclononane

C16H32 — CID 123467552

IUPAC1-butyl-4-propylcyclononane
SMILESCCCCC1CCCCCC(CCC)CC1
InChIInChI=1S/C16H32/c1-3-5-10-16-12-8-6-7-11-15(9-4-2)13-14-16/h15-16H,3-14H2,1-2H3
InChIKeyJPBPEAQPWXMUMI-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.95
Rot. Bonds5

About 1-butyl-4-propylcyclononane

1-butyl-4-propylcyclononane (PubChem CID 123467552) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-butyl-4-propylcyclononane.

Molecular Properties

Compound Name1-butyl-4-propylcyclononane
PubChem CID123467552
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-butyl-4-propylcyclononane
SMILESCCCCC1CCCCCC(CCC)CC1
InChIInChI=1S/C16H32/c1-3-5-10-16-12-8-6-7-11-15(9-4-2)13-14-16/h15-16H,3-14H2,1-2H3
InChIKeyJPBPEAQPWXMUMI-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
propylcyclotetradecane
CID 90991550
butylcyclohexane;N-methylmethanamine
CID 174941558
CID 171376493
CID 171376493
1-butyl-4-methylcyclooctane
CID 123623113
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
tetradecylcyclododecane
CID 169026037
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
33,39-dibutyl-12,26,52-triethyl-4-heptyl-9,49-dipropylbicyclo[34.18.6]hexacontane
CID 58067974

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-propylcyclononane?
The IUPAC name of 1-butyl-4-propylcyclononane (CID 123467552) is 1-butyl-4-propylcyclononane.
What is the SMILES notation for 1-butyl-4-propylcyclononane?
The canonical SMILES for 1-butyl-4-propylcyclononane is CCCCC1CCCCCC(CCC)CC1.
What is the InChIKey of 1-butyl-4-propylcyclononane?
The InChIKey is JPBPEAQPWXMUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-3-5-10-16-12-8-6-7-11-15(9-4-2)13-14-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-butyl-4-propylcyclononane?
1-butyl-4-propylcyclononane has a molecular weight of 224.43 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-propylcyclononane is sourced from PubChem (CID 123467552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).