(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene

C11H16O2 — CID 143496592

IUPAC(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene
SMILESC=C/C=C(OC)\C(=C/C=C)OCC
InChIInChI=1S/C11H16O2/c1-5-8-10(12-4)11(9-6-2)13-7-3/h5-6,8-9H,1-2,7H2,3-4H3/b10-8+,11-9+
InChIKeyLABBXEHMCCOAMW-GFULKKFKSA-N
MW180.25 g/mol
LogP2.81
Rot. Bonds6

About (3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene

(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene (PubChem CID 143496592) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene
PubChem CID143496592
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene
SMILESC=C/C=C(OC)\C(=C/C=C)OCC
InChIInChI=1S/C11H16O2/c1-5-8-10(12-4)11(9-6-2)13-7-3/h5-6,8-9H,1-2,7H2,3-4H3/b10-8+,11-9+
InChIKeyLABBXEHMCCOAMW-GFULKKFKSA-N
XLogP2.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(3Z)-3-methoxyhexa-3,5-dien-2-one;propane
CID 144684932
1,1-diethoxybuta-1,3-diene
CID 19609197
(3E)-4-methoxy-5-methylidenehepta-1,3-diene
CID 169163685
(2E,4E)-3,4-dimethoxyhepta-2,4,6-trien-1-ol
CID 145301395
(3E,5Z)-4-ethoxy-5-ethylideneocta-1,3-diene
CID 143486696
(3E,5Z)-4-ethoxy-5-propan-2-ylhepta-1,3,5-triene
CID 144527546
ethyl (4Z)-4-methoxyhepta-4,6-dienoate
CID 13483537
(3Z)-4-ethoxy-5-methylhexa-1,3-diene
CID 166091166
(2E,4E)-4-methoxy-N,N-dimethylhepta-2,4,6-trien-3-amine
CID 144795930
(3Z,5E)-5-methoxy-4-(2-methylbutan-2-yl)hepta-1,3,5-triene
CID 178057179
3,4-diethoxyhexa-2,4-diene
CID 141009141
butane;(2E)-N-methoxypenta-2,4-dien-2-amine
CID 142050769

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene?
The IUPAC name of (3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene (CID 143496592) is (3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene?
The canonical SMILES for (3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene is C=C/C=C(OC)\C(=C/C=C)OCC.
What is the InChIKey of (3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene?
The InChIKey is LABBXEHMCCOAMW-GFULKKFKSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-8-10(12-4)11(9-6-2)13-7-3/h5-6,8-9H,1-2,7H2,3-4H3/b10-8+,11-9+.
What are the key properties of (3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene?
(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene has a molecular weight of 180.25 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene is sourced from PubChem (CID 143496592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).