(3E)-3-(methoxymethylidene)hexane

C8H16O — CID 88939279

IUPAC(3E)-3-(methoxymethylidene)hexane
SMILESCCC/C(=C/OC)CC
InChIInChI=1S/C8H16O/c1-4-6-8(5-2)7-9-3/h7H,4-6H2,1-3H3/b8-7+
InChIKeyUGYQCMSCZVCWGH-BQYQJAHWSA-N
MW128.21 g/mol
LogP2.73
Rot. Bonds4

About (3E)-3-(methoxymethylidene)hexane

(3E)-3-(methoxymethylidene)hexane (PubChem CID 88939279) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (3E)-3-(methoxymethylidene)hexane.

Molecular Properties

Compound Name(3E)-3-(methoxymethylidene)hexane
PubChem CID88939279
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(3E)-3-(methoxymethylidene)hexane
SMILESCCC/C(=C/OC)CC
InChIInChI=1S/C8H16O/c1-4-6-8(5-2)7-9-3/h7H,4-6H2,1-3H3/b8-7+
InChIKeyUGYQCMSCZVCWGH-BQYQJAHWSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(methoxymethylidene)hexane?
The IUPAC name of (3E)-3-(methoxymethylidene)hexane (CID 88939279) is (3E)-3-(methoxymethylidene)hexane.
What is the SMILES notation for (3E)-3-(methoxymethylidene)hexane?
The canonical SMILES for (3E)-3-(methoxymethylidene)hexane is CCC/C(=C/OC)CC.
What is the InChIKey of (3E)-3-(methoxymethylidene)hexane?
The InChIKey is UGYQCMSCZVCWGH-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H16O/c1-4-6-8(5-2)7-9-3/h7H,4-6H2,1-3H3/b8-7+.
What are the key properties of (3E)-3-(methoxymethylidene)hexane?
(3E)-3-(methoxymethylidene)hexane has a molecular weight of 128.21 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(methoxymethylidene)hexane is sourced from PubChem (CID 88939279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).