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

C10H18 — CID 143680457

IUPAC(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
SMILESC.C=C/C=C\C(=C/C)CC
InChIInChI=1S/C9H14.CH4/c1-4-7-8-9(5-2)6-3;/h4-5,7-8H,1,6H2,2-3H3;1H4/b8-7-,9-5-;
InChIKeyKTQRNOZJDWATFA-XXAYGNTESA-N
MW138.25 g/mol
LogP3.72
Rot. Bonds3

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

(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane (PubChem CID 143680457) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (3Z,5Z)-5-ethylhepta-1,3,5-triene;methane.

Molecular Properties

Compound Name(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
PubChem CID143680457
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
SMILESC.C=C/C=C\C(=C/C)CC
InChIInChI=1S/C9H14.CH4/c1-4-7-8-9(5-2)6-3;/h4-5,7-8H,1,6H2,2-3H3;1H4/b8-7-,9-5-;
InChIKeyKTQRNOZJDWATFA-XXAYGNTESA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.72
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;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
(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
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569
(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
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
1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine
CID 167002240
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-ethylhepta-1,3,5-triene;methane?
The IUPAC name of (3Z,5Z)-5-ethylhepta-1,3,5-triene;methane (CID 143680457) is (3Z,5Z)-5-ethylhepta-1,3,5-triene;methane.
What is the SMILES notation for (3Z,5Z)-5-ethylhepta-1,3,5-triene;methane?
The canonical SMILES for (3Z,5Z)-5-ethylhepta-1,3,5-triene;methane is C.C=C/C=C\C(=C/C)CC.
What is the InChIKey of (3Z,5Z)-5-ethylhepta-1,3,5-triene;methane?
The InChIKey is KTQRNOZJDWATFA-XXAYGNTESA-N. The full InChI is InChI=1S/C9H14.CH4/c1-4-7-8-9(5-2)6-3;/h4-5,7-8H,1,6H2,2-3H3;1H4/b8-7-,9-5-;.
What are the key properties of (3Z,5Z)-5-ethylhepta-1,3,5-triene;methane?
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane has a molecular weight of 138.25 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-ethylhepta-1,3,5-triene;methane is sourced from PubChem (CID 143680457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).