5-ethyl-3-methyl-5-propyloctane

C14H30 — CID 57492740

IUPAC5-ethyl-3-methyl-5-propyloctane
SMILESCCCC(CC)(CCC)CC(C)CC
InChIInChI=1S/C14H30/c1-6-10-14(9-4,11-7-2)12-13(5)8-3/h13H,6-12H2,1-5H3
InChIKeyGNZZWWWSHZKVQM-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.42
Rot. Bonds8

About 5-ethyl-3-methyl-5-propyloctane

5-ethyl-3-methyl-5-propyloctane (PubChem CID 57492740) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 5-ethyl-3-methyl-5-propyloctane.

Molecular Properties

Compound Name5-ethyl-3-methyl-5-propyloctane
PubChem CID57492740
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name5-ethyl-3-methyl-5-propyloctane
SMILESCCCC(CC)(CCC)CC(C)CC
InChIInChI=1S/C14H30/c1-6-10-14(9-4,11-7-2)12-13(5)8-3/h13H,6-12H2,1-5H3
InChIKeyGNZZWWWSHZKVQM-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[4-methyl-2-(phosphanylmethyl)-2-propylhexyl]phosphane
CID 58351252
3-(chloromethyl)-3-ethyl-5-methylheptane
CID 66034267
2-(aminomethyl)-4-methyl-2-propylhexan-1-ol
CID 106506327
(3S)-5-ethyl-3,5-dimethyloctane
CID 143713459
ethene;(3S)-5-ethyl-3,5-dimethyloctane;propane
CID 143713458
6-ethyl-4-methyl-6-propylnon-2-ene
CID 123705337
3,3-diethylpentane;3-methylhexane;3-methylpentane
CID 160955988
5,5-bis(methoxymethyl)-3-methylnonane
CID 141250163
5-ethynyl-3,5-dimethyloctane
CID 101010362
3-ethyl-3,5-dimethylheptane;methane
CID 167702557
3-fluoro-3,5-dimethylheptane
CID 123257807
2-ethyl-4-fluoro-2-propylhexan-1-ol
CID 168880821

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-5-propyloctane?
The IUPAC name of 5-ethyl-3-methyl-5-propyloctane (CID 57492740) is 5-ethyl-3-methyl-5-propyloctane.
What is the SMILES notation for 5-ethyl-3-methyl-5-propyloctane?
The canonical SMILES for 5-ethyl-3-methyl-5-propyloctane is CCCC(CC)(CCC)CC(C)CC.
What is the InChIKey of 5-ethyl-3-methyl-5-propyloctane?
The InChIKey is GNZZWWWSHZKVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-6-10-14(9-4,11-7-2)12-13(5)8-3/h13H,6-12H2,1-5H3.
What are the key properties of 5-ethyl-3-methyl-5-propyloctane?
5-ethyl-3-methyl-5-propyloctane has a molecular weight of 198.39 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-5-propyloctane is sourced from PubChem (CID 57492740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).