(3Z)-7,7-diethoxyhepta-1,3-diene

C11H20O2 — CID 163205336

IUPAC(3Z)-7,7-diethoxyhepta-1,3-diene
SMILESC=C/C=C\CCC(OCC)OCC
InChIInChI=1S/C11H20O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h4,7-8,11H,1,5-6,9-10H2,2-3H3/b8-7-
InChIKeyOIWUZCFFHBCLNA-FPLPWBNLSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds8

About (3Z)-7,7-diethoxyhepta-1,3-diene

(3Z)-7,7-diethoxyhepta-1,3-diene (PubChem CID 163205336) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3Z)-7,7-diethoxyhepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-7,7-diethoxyhepta-1,3-diene
PubChem CID163205336
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3Z)-7,7-diethoxyhepta-1,3-diene
SMILESC=C/C=C\CCC(OCC)OCC
InChIInChI=1S/C11H20O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h4,7-8,11H,1,5-6,9-10H2,2-3H3/b8-7-
InChIKeyOIWUZCFFHBCLNA-FPLPWBNLSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-7,7-diethoxyhepta-1,3-diene?
The IUPAC name of (3Z)-7,7-diethoxyhepta-1,3-diene (CID 163205336) is (3Z)-7,7-diethoxyhepta-1,3-diene.
What is the SMILES notation for (3Z)-7,7-diethoxyhepta-1,3-diene?
The canonical SMILES for (3Z)-7,7-diethoxyhepta-1,3-diene is C=C/C=C\CCC(OCC)OCC.
What is the InChIKey of (3Z)-7,7-diethoxyhepta-1,3-diene?
The InChIKey is OIWUZCFFHBCLNA-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h4,7-8,11H,1,5-6,9-10H2,2-3H3/b8-7-.
What are the key properties of (3Z)-7,7-diethoxyhepta-1,3-diene?
(3Z)-7,7-diethoxyhepta-1,3-diene has a molecular weight of 184.28 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7,7-diethoxyhepta-1,3-diene is sourced from PubChem (CID 163205336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).