(3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene

C12H20O — CID 143486696

IUPAC(3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene
SMILESC=C/C=C(OCC)\C(=C/C)CCC
InChIInChI=1S/C12H20O/c1-5-9-11(7-3)12(10-6-2)13-8-4/h6-7,10H,2,5,8-9H2,1,3-4H3/b11-7-,12-10+
InChIKeyBBROLHQUHIFIQV-OMCDNRFESA-N
MW180.29 g/mol
LogP3.84
Rot. Bonds6

About (3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene

(3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene (PubChem CID 143486696) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene.

Molecular Properties

Compound Name(3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene
PubChem CID143486696
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene
SMILESC=C/C=C(OCC)\C(=C/C)CCC
InChIInChI=1S/C12H20O/c1-5-9-11(7-3)12(10-6-2)13-8-4/h6-7,10H,2,5,8-9H2,1,3-4H3/b11-7-,12-10+
InChIKeyBBROLHQUHIFIQV-OMCDNRFESA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene
CID 143496592
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
(3E,5Z)-4-ethoxy-5-propan-2-ylhepta-1,3,5-triene
CID 144527546
1,1-diethoxybuta-1,3-diene
CID 19609197
trimethylsilyl (2E)-2-propylpenta-2,4-dienoate
CID 5352354
3,4-diethoxyhexa-2,4-diene
CID 141009141
ethane;(2E,3Z)-2-ethylidene-3-propylhexa-3,5-dienal
CID 143778379
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
(3Z)-hepta-1,3-dien-4-ol
CID 23128228
[(3Z,4E)-4-[3,3-bis(hydroxymethyl)pentoxy]-3-ethylidenehepta-4,6-dienyl] 2-methylprop-2-enoate
CID 162428628
(3Z)-4-ethoxy-5-methylhexa-1,3-diene
CID 166091166
bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene
CID 166119091

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene?
The IUPAC name of (3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene (CID 143486696) is (3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene.
What is the SMILES notation for (3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene?
The canonical SMILES for (3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene is C=C/C=C(OCC)\C(=C/C)CCC.
What is the InChIKey of (3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene?
The InChIKey is BBROLHQUHIFIQV-OMCDNRFESA-N. The full InChI is InChI=1S/C12H20O/c1-5-9-11(7-3)12(10-6-2)13-8-4/h6-7,10H,2,5,8-9H2,1,3-4H3/b11-7-,12-10+.
What are the key properties of (3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene?
(3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene has a molecular weight of 180.29 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene is sourced from PubChem (CID 143486696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).