ethane;2-methyl-5-propylnonane

C15H34 — CID 171073854

IUPACethane;2-methyl-5-propylnonane
SMILESCC.CCCCC(CCC)CCC(C)C
InChIInChI=1S/C13H28.C2H6/c1-5-7-9-13(8-6-2)11-10-12(3)4;1-2/h12-13H,5-11H2,1-4H3;1-2H3
InChIKeyHAZUTXPBQCXQOX-UHFFFAOYSA-N
MW214.44 g/mol
LogP6.06
Rot. Bonds8

About ethane;2-methyl-5-propylnonane

ethane;2-methyl-5-propylnonane (PubChem CID 171073854) has the molecular formula C15H34 and a molecular weight of 214.44 g/mol. Its IUPAC name is ethane;2-methyl-5-propylnonane.

Molecular Properties

Compound Nameethane;2-methyl-5-propylnonane
PubChem CID171073854
Molecular FormulaC15H34
Molecular Weight214.44 g/mol
Exact Mass214.27
IUPAC Nameethane;2-methyl-5-propylnonane
SMILESCC.CCCCC(CCC)CCC(C)C
InChIInChI=1S/C13H28.C2H6/c1-5-7-9-13(8-6-2)11-10-12(3)4;1-2/h12-13H,5-11H2,1-4H3;1-2H3
InChIKeyHAZUTXPBQCXQOX-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.44
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5R)-2-methyl-5-propylnonane
CID 162842430
2-methyl-5-propyltridecane
CID 123255718
2,8-dimethyl-5-propylnonane
CID 57014492
methane;4-propyloctane
CID 160687994
5,9-dibutyl-13-propylheptadecane
CID 58862392
2-methyl-5-(2-methylpropyl)nonane
CID 57492288
2-methyl-6-propyldodecane
CID 545626
7-butyl-4-methylundecane
CID 59977721
1,1-difluoro-4-propyloctane
CID 142584368
N,N,8-trimethyl-5-propylnonan-1-amine
CID 123144577
5-ethylnonane;5-propylnonane
CID 157441807
5-propylpentacosane
CID 91493421

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-propylnonane?
The IUPAC name of ethane;2-methyl-5-propylnonane (CID 171073854) is ethane;2-methyl-5-propylnonane.
What is the SMILES notation for ethane;2-methyl-5-propylnonane?
The canonical SMILES for ethane;2-methyl-5-propylnonane is CC.CCCCC(CCC)CCC(C)C.
What is the InChIKey of ethane;2-methyl-5-propylnonane?
The InChIKey is HAZUTXPBQCXQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28.C2H6/c1-5-7-9-13(8-6-2)11-10-12(3)4;1-2/h12-13H,5-11H2,1-4H3;1-2H3.
What are the key properties of ethane;2-methyl-5-propylnonane?
ethane;2-methyl-5-propylnonane has a molecular weight of 214.44 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-propylnonane is sourced from PubChem (CID 171073854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).