ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene

C14H26 — CID 143333904

IUPACethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
SMILESC=C/C=C(CCC)\C(=C/C)CC.CC
InChIInChI=1S/C12H20.C2H6/c1-5-9-12(10-6-2)11(7-3)8-4;1-2/h5,7,9H,1,6,8,10H2,2-4H3;1-2H3/b11-7-,12-9-;
InChIKeyPKRAPOKCNDGTLW-SLNVHFLZSA-N
MW194.36 g/mol
LogP5.28
Rot. Bonds5

About ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene

ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene (PubChem CID 143333904) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
PubChem CID143333904
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Nameethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
SMILESC=C/C=C(CCC)\C(=C/C)CC.CC
InChIInChI=1S/C12H20.C2H6/c1-5-9-12(10-6-2)11(7-3)8-4;1-2/h5,7,9H,1,6,8,10H2,2-4H3;1-2H3/b11-7-,12-9-;
InChIKeyPKRAPOKCNDGTLW-SLNVHFLZSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2E,3Z)-2-ethylidene-3-propylhexa-3,5-dienal
CID 143778379
(3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene
CID 143486696
(5Z,6Z)-6-ethyl-5-ethylidene-N,N-dimethylnona-6,8-dien-1-amine
CID 139492686
ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
CID 156719624
ethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene
CID 143912708
(3Z)-3-ethylhexa-1,3,5-trien-2-amine
CID 143431961
(2E)-2-ethylpenta-2,4-dienoic acid
CID 118517754
(3Z)-hepta-1,3-dien-4-ol
CID 23128228
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene
CID 143006429
trimethylsilyl (2E)-2-propylpenta-2,4-dienoate
CID 5352354
ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol
CID 143085238

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene?
The IUPAC name of ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene (CID 143333904) is ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene is C=C/C=C(CCC)\C(=C/C)CC.CC.
What is the InChIKey of ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene?
The InChIKey is PKRAPOKCNDGTLW-SLNVHFLZSA-N. The full InChI is InChI=1S/C12H20.C2H6/c1-5-9-12(10-6-2)11(7-3)8-4;1-2/h5,7,9H,1,6,8,10H2,2-4H3;1-2H3/b11-7-,12-9-;.
What are the key properties of ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene?
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene has a molecular weight of 194.36 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene is sourced from PubChem (CID 143333904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).