ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene

C13H26 — CID 145142585

IUPACethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
SMILESC=C/C=C\C(=C/C)CC.CC.CC
InChIInChI=1S/C9H14.2C2H6/c1-4-7-8-9(5-2)6-3;2*1-2/h4-5,7-8H,1,6H2,2-3H3;2*1-2H3/b8-7-,9-5-;;
InChIKeyBKHNCWZGMBWJKA-UPZVCZHESA-N
MW182.35 g/mol
LogP5.14
Rot. Bonds3

About ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene

ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene (PubChem CID 145142585) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
PubChem CID145142585
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Nameethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
SMILESC=C/C=C\C(=C/C)CC.CC.CC
InChIInChI=1S/C9H14.2C2H6/c1-4-7-8-9(5-2)6-3;2*1-2/h4-5,7-8H,1,6H2,2-3H3;2*1-2H3/b8-7-,9-5-;;
InChIKeyBKHNCWZGMBWJKA-UPZVCZHESA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500182.35
LogP ≤ 55.14
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

(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457
(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene
CID 162361818
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
(1E,3Z,5Z)-1-chloro-5-ethylhepta-1,3,5-triene;ethane
CID 143343718
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569
(2E,3Z)-N-ethyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine;propane
CID 144845989
ethane;(4Z,5Z)-4-ethylidene-2-oxoocta-5,7-dienoic acid
CID 143265968
(3E,5E,7E)-4-ethylnona-1,3,5,7-tetraene
CID 143912648
(4Z,5Z)-4-ethylideneocta-5,7-dien-1-ol
CID 89317251
3-ethylidenehepta-4,6-dienoic acid
CID 90984138
(2E,3Z)-N-butyl-2-ethylidene-N-propylhexa-3,5-dien-1-amine
CID 164862462

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene?
The IUPAC name of ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene (CID 145142585) is ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene is C=C/C=C\C(=C/C)CC.CC.CC.
What is the InChIKey of ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene?
The InChIKey is BKHNCWZGMBWJKA-UPZVCZHESA-N. The full InChI is InChI=1S/C9H14.2C2H6/c1-4-7-8-9(5-2)6-3;2*1-2/h4-5,7-8H,1,6H2,2-3H3;2*1-2H3/b8-7-,9-5-;;.
What are the key properties of ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene?
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene has a molecular weight of 182.35 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene is sourced from PubChem (CID 145142585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).