methane;4-propyloctane

C13H32 — CID 160687994

IUPACmethane;4-propyloctane
SMILESC.C.CCCCC(CCC)CCC
InChIInChI=1S/C11H24.2CH4/c1-4-7-10-11(8-5-2)9-6-3;;/h11H,4-10H2,1-3H3;2*1H4
InChIKeyRPAFSCHPHHHRGO-UHFFFAOYSA-N
MW188.40 g/mol
LogP5.67
Rot. Bonds7

About methane;4-propyloctane

methane;4-propyloctane (PubChem CID 160687994) has the molecular formula C13H32 and a molecular weight of 188.40 g/mol. Its IUPAC name is methane;4-propyloctane.

Molecular Properties

Compound Namemethane;4-propyloctane
PubChem CID160687994
Molecular FormulaC13H32
Molecular Weight188.40 g/mol
Exact Mass188.25
IUPAC Namemethane;4-propyloctane
SMILESC.C.CCCCC(CCC)CCC
InChIInChI=1S/C11H24.2CH4/c1-4-7-10-11(8-5-2)9-6-3;;/h11H,4-10H2,1-3H3;2*1H4
InChIKeyRPAFSCHPHHHRGO-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500188.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,9-dibutyl-13-propylheptadecane
CID 58862392
5-ethylnonane;5-propylnonane
CID 157441807
5-propylpentacosane
CID 91493421
4,5-dipropylnonane;5-propylnonane
CID 157465342
6-propyltetracosane
CID 91039357
16-propylhexatriacontane
CID 91313942
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
15-propylpentatriacontane
CID 91540514
12-propylhenpentacontane
CID 123984579
(5R)-2-methyl-5-propylnonane
CID 162842430

Frequently Asked Questions

What is the IUPAC name of methane;4-propyloctane?
The IUPAC name of methane;4-propyloctane (CID 160687994) is methane;4-propyloctane.
What is the SMILES notation for methane;4-propyloctane?
The canonical SMILES for methane;4-propyloctane is C.C.CCCCC(CCC)CCC.
What is the InChIKey of methane;4-propyloctane?
The InChIKey is RPAFSCHPHHHRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.2CH4/c1-4-7-10-11(8-5-2)9-6-3;;/h11H,4-10H2,1-3H3;2*1H4.
What are the key properties of methane;4-propyloctane?
methane;4-propyloctane has a molecular weight of 188.40 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-propyloctane is sourced from PubChem (CID 160687994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).