3-(methoxymethylidene)hexane

C8H16O — CID 123136239

IUPAC3-(methoxymethylidene)hexane
SMILESCCCC(=COC)CC
InChIInChI=1S/C8H16O/c1-4-6-8(5-2)7-9-3/h7H,4-6H2,1-3H3
InChIKeyUGYQCMSCZVCWGH-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.73
Rot. Bonds4

About 3-(methoxymethylidene)hexane

3-(methoxymethylidene)hexane (PubChem CID 123136239) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3-(methoxymethylidene)hexane.

Molecular Properties

Compound Name3-(methoxymethylidene)hexane
PubChem CID123136239
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3-(methoxymethylidene)hexane
SMILESCCCC(=COC)CC
InChIInChI=1S/C8H16O/c1-4-6-8(5-2)7-9-3/h7H,4-6H2,1-3H3
InChIKeyUGYQCMSCZVCWGH-UHFFFAOYSA-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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Related Compounds

(Methoxymethylene)cyclohexane
CID 12261950
(Methoxymethylene)cyclododecane
CID 12553326
Butoxymethylidenecyclohexane
CID 12794829
(Methoxymethylidene)cycloheptane
CID 13163955
Heptenyl ether
CID 54375697
Ethyl-propyl-vinyl ether
CID 129736118
6-(Methoxymethylene)undecane
CID 134895818
3-(Methoxymethylene)pentane
CID 22234822
(E)-1-methoxyhept-1-ene
CID 11126280
(Ethoxymethylene)cyclohexane
CID 12361524
(1Z)-1-heptenyl methyl ether
CID 21677643
2-Methyl-1-(2-methyldec-1-enoxy)dec-1-ene
CID 90792980

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethylidene)hexane?
The IUPAC name of 3-(methoxymethylidene)hexane (CID 123136239) is 3-(methoxymethylidene)hexane.
What is the SMILES notation for 3-(methoxymethylidene)hexane?
The canonical SMILES for 3-(methoxymethylidene)hexane is CCCC(=COC)CC.
What is the InChIKey of 3-(methoxymethylidene)hexane?
The InChIKey is UGYQCMSCZVCWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-6-8(5-2)7-9-3/h7H,4-6H2,1-3H3.
What are the key properties of 3-(methoxymethylidene)hexane?
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 3-(methoxymethylidene)hexane is sourced from PubChem (CID 123136239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).