3,4-diethylhept-3-ene;ethane

C13H28 — CID 142049797

IUPAC3,4-diethylhept-3-ene;ethane
SMILESCC.CCCC(CC)=C(CC)CC
InChIInChI=1S/C11H22.C2H6/c1-5-9-11(8-4)10(6-2)7-3;1-2/h5-9H2,1-4H3;1-2H3
InChIKeyLOINYPLCXDBZSA-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.34
Rot. Bonds5

About 3,4-diethylhept-3-ene;ethane

3,4-diethylhept-3-ene;ethane (PubChem CID 142049797) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 3,4-diethylhept-3-ene;ethane.

Molecular Properties

Compound Name3,4-diethylhept-3-ene;ethane
PubChem CID142049797
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name3,4-diethylhept-3-ene;ethane
SMILESCC.CCCC(CC)=C(CC)CC
InChIInChI=1S/C11H22.C2H6/c1-5-9-11(8-4)10(6-2)7-3;1-2/h5-9H2,1-4H3;1-2H3
InChIKeyLOINYPLCXDBZSA-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.34
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

4-ethyl-2,2-bis(hydroxymethyl)hept-3-ene-1,3-diol
CID 122583484
6-butyl-7-ethyltetradec-6-ene
CID 57142303
10-butyl-11-ethyldocos-10-ene
CID 57219160
(1-cyclohexyl-2-ethylpent-1-enyl)cyclohexane
CID 172560766
5-ethyl-4-methylnon-4-ene
CID 143021471
(E)-3-methyl-4-propyloct-3-ene
CID 57107532
(E)-2-cyano-3-ethylhex-2-enoic acid
CID 130430300
2-propylprop-1-ene-1,1,3-triol
CID 172738062
(Z)-3,4-dimethylhept-3-ene;ethane;propane
CID 144674690
2-(difluoromethylidene)pentan-1-ol
CID 167540478
8-ethyl-7-methylundeca-3,4,7-triene
CID 90830873
2,3-dimethylhex-2-ene;ethane
CID 144601748

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylhept-3-ene;ethane?
The IUPAC name of 3,4-diethylhept-3-ene;ethane (CID 142049797) is 3,4-diethylhept-3-ene;ethane.
What is the SMILES notation for 3,4-diethylhept-3-ene;ethane?
The canonical SMILES for 3,4-diethylhept-3-ene;ethane is CC.CCCC(CC)=C(CC)CC.
What is the InChIKey of 3,4-diethylhept-3-ene;ethane?
The InChIKey is LOINYPLCXDBZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C2H6/c1-5-9-11(8-4)10(6-2)7-3;1-2/h5-9H2,1-4H3;1-2H3.
What are the key properties of 3,4-diethylhept-3-ene;ethane?
3,4-diethylhept-3-ene;ethane has a molecular weight of 184.37 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylhept-3-ene;ethane is sourced from PubChem (CID 142049797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).