(3E)-3-(ethoxymethylidene)hept-1-ene

C10H18O — CID 13495214

IUPAC(3E)-3-(ethoxymethylidene)hept-1-ene
SMILESC=C/C(=C/OCC)CCCC
InChIInChI=1S/C10H18O/c1-4-7-8-10(5-2)9-11-6-3/h5,9H,2,4,6-8H2,1,3H3/b10-9-
InChIKeyBATKEMJKYKAIQE-KTKRTIGZSA-N
MW154.25 g/mol
LogP3.28
Rot. Bonds6

About (3E)-3-(ethoxymethylidene)hept-1-ene

(3E)-3-(ethoxymethylidene)hept-1-ene (PubChem CID 13495214) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (3E)-3-(ethoxymethylidene)hept-1-ene.

Molecular Properties

Compound Name(3E)-3-(ethoxymethylidene)hept-1-ene
PubChem CID13495214
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(3E)-3-(ethoxymethylidene)hept-1-ene
SMILESC=C/C(=C/OCC)CCCC
InChIInChI=1S/C10H18O/c1-4-7-8-10(5-2)9-11-6-3/h5,9H,2,4,6-8H2,1,3H3/b10-9-
InChIKeyBATKEMJKYKAIQE-KTKRTIGZSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(ethoxymethylidene)hept-1-ene?
The IUPAC name of (3E)-3-(ethoxymethylidene)hept-1-ene (CID 13495214) is (3E)-3-(ethoxymethylidene)hept-1-ene.
What is the SMILES notation for (3E)-3-(ethoxymethylidene)hept-1-ene?
The canonical SMILES for (3E)-3-(ethoxymethylidene)hept-1-ene is C=C/C(=C/OCC)CCCC.
What is the InChIKey of (3E)-3-(ethoxymethylidene)hept-1-ene?
The InChIKey is BATKEMJKYKAIQE-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H18O/c1-4-7-8-10(5-2)9-11-6-3/h5,9H,2,4,6-8H2,1,3H3/b10-9-.
What are the key properties of (3E)-3-(ethoxymethylidene)hept-1-ene?
(3E)-3-(ethoxymethylidene)hept-1-ene has a molecular weight of 154.25 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(ethoxymethylidene)hept-1-ene is sourced from PubChem (CID 13495214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).