(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene

C14H22 — CID 162361818

IUPAC(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene
SMILESC=C/C=C\C(=C/C)CC.C=CC(=C)C
InChIInChI=1S/C9H14.C5H8/c1-4-7-8-9(5-2)6-3;1-4-5(2)3/h4-5,7-8H,1,6H2,2-3H3;4H,1-2H2,3H3/b8-7-,9-5-;
InChIKeyKMCOHMKFADMYIW-XXAYGNTESA-N
MW190.33 g/mol
LogP4.83
Rot. Bonds4

About (3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene

(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene (PubChem CID 162361818) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene.

Molecular Properties

Compound Name(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene
PubChem CID162361818
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene
SMILESC=C/C=C\C(=C/C)CC.C=CC(=C)C
InChIInChI=1S/C9H14.C5H8/c1-4-7-8-9(5-2)6-3;1-4-5(2)3/h4-5,7-8H,1,6H2,2-3H3;4H,1-2H2,3H3/b8-7-,9-5-;
InChIKeyKMCOHMKFADMYIW-XXAYGNTESA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.83
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;methane
CID 143680457
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
5-methylocta-1,3,5-triene
CID 123706098
3-ethylidenehepta-4,6-dienoic acid
CID 90984138
(3E,5E,7E)-4-ethylnona-1,3,5,7-tetraene
CID 143912648

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene?
The IUPAC name of (3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene (CID 162361818) is (3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene.
What is the SMILES notation for (3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene?
The canonical SMILES for (3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene is C=C/C=C\C(=C/C)CC.C=CC(=C)C.
What is the InChIKey of (3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene?
The InChIKey is KMCOHMKFADMYIW-XXAYGNTESA-N. The full InChI is InChI=1S/C9H14.C5H8/c1-4-7-8-9(5-2)6-3;1-4-5(2)3/h4-5,7-8H,1,6H2,2-3H3;4H,1-2H2,3H3/b8-7-,9-5-;.
What are the key properties of (3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene?
(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene has a molecular weight of 190.33 g/mol, XLogP of 4.83, 4 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;2-methylbuta-1,3-diene is sourced from PubChem (CID 162361818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).