(4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene

C14H26O2 — CID 88835449

IUPAC(4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene
SMILESCC=C(/C=C\CC(C)C)C(OCC)OCC
InChIInChI=1S/C14H26O2/c1-6-13(11-9-10-12(4)5)14(15-7-2)16-8-3/h6,9,11-12,14H,7-8,10H2,1-5H3/b11-9-,13-6?
InChIKeyBPOXZZHIVNLZNK-IMKZXAAMSA-N
MW226.36 g/mol
LogP3.93
Rot. Bonds8

About (4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene

(4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene (PubChem CID 88835449) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene.

Molecular Properties

Compound Name(4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene
PubChem CID88835449
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene
SMILESCC=C(/C=C\CC(C)C)C(OCC)OCC
InChIInChI=1S/C14H26O2/c1-6-13(11-9-10-12(4)5)14(15-7-2)16-8-3/h6,9,11-12,14H,7-8,10H2,1-5H3/b11-9-,13-6?
InChIKeyBPOXZZHIVNLZNK-IMKZXAAMSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.93
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 (4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene?
The IUPAC name of (4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene (CID 88835449) is (4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene.
What is the SMILES notation for (4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene?
The canonical SMILES for (4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene is CC=C(/C=C\CC(C)C)C(OCC)OCC.
What is the InChIKey of (4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene?
The InChIKey is BPOXZZHIVNLZNK-IMKZXAAMSA-N. The full InChI is InChI=1S/C14H26O2/c1-6-13(11-9-10-12(4)5)14(15-7-2)16-8-3/h6,9,11-12,14H,7-8,10H2,1-5H3/b11-9-,13-6?.
What are the key properties of (4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene?
(4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene has a molecular weight of 226.36 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-(diethoxymethyl)-7-methylocta-2,4-diene is sourced from PubChem (CID 88835449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).