3-(diethoxymethylidene)pentane

C10H20O2 — CID 139619704

IUPAC3-(diethoxymethylidene)pentane
SMILESCCOC(OCC)=C(CC)CC
InChIInChI=1S/C10H20O2/c1-5-9(6-2)10(11-7-3)12-8-4/h5-8H2,1-4H3
InChIKeyFWTDRNKXDHASEV-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.09
Rot. Bonds6

About 3-(diethoxymethylidene)pentane

3-(diethoxymethylidene)pentane (PubChem CID 139619704) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(diethoxymethylidene)pentane.

Molecular Properties

Compound Name3-(diethoxymethylidene)pentane
PubChem CID139619704
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(diethoxymethylidene)pentane
SMILESCCOC(OCC)=C(CC)CC
InChIInChI=1S/C10H20O2/c1-5-9(6-2)10(11-7-3)12-8-4/h5-8H2,1-4H3
InChIKeyFWTDRNKXDHASEV-UHFFFAOYSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.09
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-(diethoxymethylidene)pentane?
The IUPAC name of 3-(diethoxymethylidene)pentane (CID 139619704) is 3-(diethoxymethylidene)pentane.
What is the SMILES notation for 3-(diethoxymethylidene)pentane?
The canonical SMILES for 3-(diethoxymethylidene)pentane is CCOC(OCC)=C(CC)CC.
What is the InChIKey of 3-(diethoxymethylidene)pentane?
The InChIKey is FWTDRNKXDHASEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-9(6-2)10(11-7-3)12-8-4/h5-8H2,1-4H3.
What are the key properties of 3-(diethoxymethylidene)pentane?
3-(diethoxymethylidene)pentane has a molecular weight of 172.27 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxymethylidene)pentane is sourced from PubChem (CID 139619704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).