4-ethyl-2-methyl-4-propylhept-1-ene

C13H26 — CID 123745566

IUPAC4-ethyl-2-methyl-4-propylhept-1-ene
SMILESC=C(C)CC(CC)(CCC)CCC
InChIInChI=1S/C13H26/c1-6-9-13(8-3,10-7-2)11-12(4)5/h4,6-11H2,1-3,5H3
InChIKeyUUBRSPJLBNRNGI-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.95
Rot. Bonds7

About 4-ethyl-2-methyl-4-propylhept-1-ene

4-ethyl-2-methyl-4-propylhept-1-ene (PubChem CID 123745566) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 4-ethyl-2-methyl-4-propylhept-1-ene.

Molecular Properties

Compound Name4-ethyl-2-methyl-4-propylhept-1-ene
PubChem CID123745566
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name4-ethyl-2-methyl-4-propylhept-1-ene
SMILESC=C(C)CC(CC)(CCC)CCC
InChIInChI=1S/C13H26/c1-6-9-13(8-3,10-7-2)11-12(4)5/h4,6-11H2,1-3,5H3
InChIKeyUUBRSPJLBNRNGI-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-3-propylhexanoic acid
CID 174620976
2,4-dimethylhept-1-en-4-amine
CID 152808962
2,4,4,6,6,8,8-heptamethylundec-1-ene
CID 140893403
3,3-diethylhexane;2,2-diethylpentan-1-ol
CID 159667667
3,5-dimethylhex-5-en-3-ol
CID 552026
4-ethyl-4-methylheptane;2-methylprop-1-ene
CID 170590523
propane;2,4,4-trimethylpent-1-ene
CID 145388380
6-ethyl-6-propyldecan-4-one
CID 19931440
5-ethyl-3-methyl-5-propyloctane
CID 57492740
4,4-diethyloctane;ethane
CID 177031380
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
2,2-bis(hydroxymethyl)butane-1,4-diol;2,2-diethylpentan-1-ol;methane
CID 157471595

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-4-propylhept-1-ene?
The IUPAC name of 4-ethyl-2-methyl-4-propylhept-1-ene (CID 123745566) is 4-ethyl-2-methyl-4-propylhept-1-ene.
What is the SMILES notation for 4-ethyl-2-methyl-4-propylhept-1-ene?
The canonical SMILES for 4-ethyl-2-methyl-4-propylhept-1-ene is C=C(C)CC(CC)(CCC)CCC.
What is the InChIKey of 4-ethyl-2-methyl-4-propylhept-1-ene?
The InChIKey is UUBRSPJLBNRNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-9-13(8-3,10-7-2)11-12(4)5/h4,6-11H2,1-3,5H3.
What are the key properties of 4-ethyl-2-methyl-4-propylhept-1-ene?
4-ethyl-2-methyl-4-propylhept-1-ene has a molecular weight of 182.35 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-4-propylhept-1-ene is sourced from PubChem (CID 123745566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).