1-methyl-5-propylcyclononane

C13H26 — CID 54361658

IUPAC1-methyl-5-propylcyclononane
SMILESCCCC1CCCCC(C)CCC1
InChIInChI=1S/C13H26/c1-3-7-13-10-5-4-8-12(2)9-6-11-13/h12-13H,3-11H2,1-2H3
InChIKeyUMXXCKADKIPFAN-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.78
Rot. Bonds2

About 1-methyl-5-propylcyclononane

1-methyl-5-propylcyclononane (PubChem CID 54361658) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-methyl-5-propylcyclononane.

Molecular Properties

Compound Name1-methyl-5-propylcyclononane
PubChem CID54361658
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-methyl-5-propylcyclononane
SMILESCCCC1CCCCC(C)CCC1
InChIInChI=1S/C13H26/c1-3-7-13-10-5-4-8-12(2)9-6-11-13/h12-13H,3-11H2,1-2H3
InChIKeyUMXXCKADKIPFAN-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-propylcycloheptane
CID 90967653
ethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane
CID 159951962
propylcyclotetradecane
CID 90991550
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
1-butyl-4-methylcyclooctane
CID 123623113
1-methyl-4-pentylcycloheptane
CID 123318058
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
hydrazine;propylcyclobutane;hydrochloride
CID 18995287
butane;methylcyclopentane
CID 142053859
formonitrile;propylcyclohexane
CID 174902049
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-cyclohexyl-6-propylcyclodecane
CID 58552139

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propylcyclononane?
The IUPAC name of 1-methyl-5-propylcyclononane (CID 54361658) is 1-methyl-5-propylcyclononane.
What is the SMILES notation for 1-methyl-5-propylcyclononane?
The canonical SMILES for 1-methyl-5-propylcyclononane is CCCC1CCCCC(C)CCC1.
What is the InChIKey of 1-methyl-5-propylcyclononane?
The InChIKey is UMXXCKADKIPFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-3-7-13-10-5-4-8-12(2)9-6-11-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-methyl-5-propylcyclononane?
1-methyl-5-propylcyclononane has a molecular weight of 182.35 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propylcyclononane is sourced from PubChem (CID 54361658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).