3-[ethoxy(propoxy)methylidene]pentane

C11H22O2 — CID 173420806

IUPAC3-[ethoxy(propoxy)methylidene]pentane
SMILESCCCOC(OCC)=C(CC)CC
InChIInChI=1S/C11H22O2/c1-5-9-13-11(12-8-4)10(6-2)7-3/h5-9H2,1-4H3
InChIKeyIGQULFCQFICAOF-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.48
Rot. Bonds7

About 3-[ethoxy(propoxy)methylidene]pentane

3-[ethoxy(propoxy)methylidene]pentane (PubChem CID 173420806) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-[ethoxy(propoxy)methylidene]pentane.

Molecular Properties

Compound Name3-[ethoxy(propoxy)methylidene]pentane
PubChem CID173420806
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-[ethoxy(propoxy)methylidene]pentane
SMILESCCCOC(OCC)=C(CC)CC
InChIInChI=1S/C11H22O2/c1-5-9-13-11(12-8-4)10(6-2)7-3/h5-9H2,1-4H3
InChIKeyIGQULFCQFICAOF-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-Diethoxy-3-methylbuta-1,3-diene
CID 12368945
1,1-Diethoxy-2-methylprop-1-ene
CID 15205173
1,1-Diethoxy-3-methylbut-1-ene
CID 23310838
Trifluoromethyldiethoxypentene
CID 131728020
Diethoxymethylidenecyclohexane
CID 13085507
(Z)-cyclopentylidene(ethoxy)methanolate
CID 134887346
2-Methyl-1,1-dipropoxyprop-1-ene
CID 18946417
1,1-Diethoxy-2-methylbuta-1,3-diene
CID 19609192
2-Pentan-3-ylidene-1,3-dioxolane
CID 20448561
1,1-Diethoxy-3,3-dimethylbut-1-ene
CID 21437176
CID 57236640
CID 57236640
1,1-Diethoxyhex-1-ene
CID 88361948

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(propoxy)methylidene]pentane?
The IUPAC name of 3-[ethoxy(propoxy)methylidene]pentane (CID 173420806) is 3-[ethoxy(propoxy)methylidene]pentane.
What is the SMILES notation for 3-[ethoxy(propoxy)methylidene]pentane?
The canonical SMILES for 3-[ethoxy(propoxy)methylidene]pentane is CCCOC(OCC)=C(CC)CC.
What is the InChIKey of 3-[ethoxy(propoxy)methylidene]pentane?
The InChIKey is IGQULFCQFICAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-9-13-11(12-8-4)10(6-2)7-3/h5-9H2,1-4H3.
What are the key properties of 3-[ethoxy(propoxy)methylidene]pentane?
3-[ethoxy(propoxy)methylidene]pentane has a molecular weight of 186.29 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(propoxy)methylidene]pentane is sourced from PubChem (CID 173420806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).