(3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene

C10H16O — CID 131995054

IUPAC(3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C(=C/C)OCC
InChIInChI=1S/C10H16O/c1-5-9(4)8-10(6-2)11-7-3/h5-6,8H,1,7H2,2-4H3/b9-8-,10-6+
InChIKeyFQRGJXMJHUAXOS-GEZUXRPRSA-N
MW152.24 g/mol
LogP3.06
Rot. Bonds4

About (3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene

(3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene (PubChem CID 131995054) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene
PubChem CID131995054
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C(=C/C)OCC
InChIInChI=1S/C10H16O/c1-5-9(4)8-10(6-2)11-7-3/h5-6,8H,1,7H2,2-4H3/b9-8-,10-6+
InChIKeyFQRGJXMJHUAXOS-GEZUXRPRSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.06
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

ethane;(3Z,5E)-3-methyl-5-propan-2-yloxyhepta-1,3,5-triene
CID 162765220
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
CID 143591783
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744
2-ethoxy-4-methylpenta-1,3-diene
CID 90130900
1,1-diethoxy-2-methylbuta-1,3-diene
CID 19609192
tert-butyl N-[1-hydroxy-3-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]oxypropan-2-yl]carbamate
CID 145472939
ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene
CID 143267495
ethane;3-ethylpyridine;1-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]oxybutan-2-amine
CID 145472931
ethane;[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethanol
CID 142246390
(3E)-4-ethoxy-2-fluoro-3-methylhexa-1,3,5-triene
CID 145340423
ethyl acetate;prop-2-enoic acid
CID 87362107
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene (CID 131995054) is (3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene is C=C/C(C)=C\C(=C/C)OCC.
What is the InChIKey of (3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene?
The InChIKey is FQRGJXMJHUAXOS-GEZUXRPRSA-N. The full InChI is InChI=1S/C10H16O/c1-5-9(4)8-10(6-2)11-7-3/h5-6,8H,1,7H2,2-4H3/b9-8-,10-6+.
What are the key properties of (3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene?
(3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene has a molecular weight of 152.24 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene is sourced from PubChem (CID 131995054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).