(Z)-4,5-dimethyloct-4-ene;ethane;propane

C19H46 — CID 142299332

IUPAC(Z)-4,5-dimethyloct-4-ene;ethane;propane
SMILESCC.CC.CC.CCC.CCC/C(C)=C(/C)CCC
InChIInChI=1S/C10H20.C3H8.3C2H6/c1-5-7-9(3)10(4)8-6-2;1-3-2;3*1-2/h5-8H2,1-4H3;3H2,1-2H3;3*1-2H3/b10-9-;;;;
InChIKeyOWOMTIFJMIZHBY-HKIWRJGFSA-N
MW274.58 g/mol
LogP8.42
Rot. Bonds4

About (Z)-4,5-dimethyloct-4-ene;ethane;propane

(Z)-4,5-dimethyloct-4-ene;ethane;propane (PubChem CID 142299332) has the molecular formula C19H46 and a molecular weight of 274.58 g/mol. Its IUPAC name is (Z)-4,5-dimethyloct-4-ene;ethane;propane.

Molecular Properties

Compound Name(Z)-4,5-dimethyloct-4-ene;ethane;propane
PubChem CID142299332
Molecular FormulaC19H46
Molecular Weight274.58 g/mol
Exact Mass274.36
IUPAC Name(Z)-4,5-dimethyloct-4-ene;ethane;propane
SMILESCC.CC.CC.CCC.CCC/C(C)=C(/C)CCC
InChIInChI=1S/C10H20.C3H8.3C2H6/c1-5-7-9(3)10(4)8-6-2;1-3-2;3*1-2/h5-8H2,1-4H3;3H2,1-2H3;3*1-2H3/b10-9-;;;;
InChIKeyOWOMTIFJMIZHBY-HKIWRJGFSA-N
XLogP8.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.58
LogP ≤ 58.42
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

Squalene
CID 638072
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 11975273
2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 1105
Lycopersene
CID 5365816
2,3-Dimethyl-2-hexene
CID 23528
(6Z,10E,14Z,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 25244109
3,4-Diethyl-3-hexene
CID 136668
2-Heptene, 2,3-dimethyl-
CID 137816
3-Ethyl-2-methyl-2-pentene
CID 140592
10-Demethylsqualene
CID 5352455
Digeranyl
CID 10378654
Geran-8-YL geran
CID 446073

Frequently Asked Questions

What is the IUPAC name of (Z)-4,5-dimethyloct-4-ene;ethane;propane?
The IUPAC name of (Z)-4,5-dimethyloct-4-ene;ethane;propane (CID 142299332) is (Z)-4,5-dimethyloct-4-ene;ethane;propane.
What is the SMILES notation for (Z)-4,5-dimethyloct-4-ene;ethane;propane?
The canonical SMILES for (Z)-4,5-dimethyloct-4-ene;ethane;propane is CC.CC.CC.CCC.CCC/C(C)=C(/C)CCC.
What is the InChIKey of (Z)-4,5-dimethyloct-4-ene;ethane;propane?
The InChIKey is OWOMTIFJMIZHBY-HKIWRJGFSA-N. The full InChI is InChI=1S/C10H20.C3H8.3C2H6/c1-5-7-9(3)10(4)8-6-2;1-3-2;3*1-2/h5-8H2,1-4H3;3H2,1-2H3;3*1-2H3/b10-9-;;;;.
What are the key properties of (Z)-4,5-dimethyloct-4-ene;ethane;propane?
(Z)-4,5-dimethyloct-4-ene;ethane;propane has a molecular weight of 274.58 g/mol, XLogP of 8.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,5-dimethyloct-4-ene;ethane;propane is sourced from PubChem (CID 142299332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).