1,1-diethoxy-3,3-dimethylbut-1-ene

C10H20O2 — CID 21437176

IUPAC1,1-diethoxy-3,3-dimethylbut-1-ene
SMILESCCOC(=CC(C)(C)C)OCC
InChIInChI=1S/C10H20O2/c1-6-11-9(12-7-2)8-10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyXIZFMRDFIWGRDI-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.95
Rot. Bonds4

About 1,1-diethoxy-3,3-dimethylbut-1-ene

1,1-diethoxy-3,3-dimethylbut-1-ene (PubChem CID 21437176) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,1-diethoxy-3,3-dimethylbut-1-ene.

Molecular Properties

Compound Name1,1-diethoxy-3,3-dimethylbut-1-ene
PubChem CID21437176
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1,1-diethoxy-3,3-dimethylbut-1-ene
SMILESCCOC(=CC(C)(C)C)OCC
InChIInChI=1S/C10H20O2/c1-6-11-9(12-7-2)8-10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyXIZFMRDFIWGRDI-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.95
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
Dibutoxybutene
CID 21932110
1,1-Diethoxy-3-methylbut-1-ene
CID 23310838
1-Methoxy-1-ethoxy-3-methyl-butadiene
CID 129780151
1,1-Diethoxybut-1-ene
CID 15040514
1,1-Diethoxy-2-methylbuta-1,3-diene
CID 19609192
1,1-Diethoxypent-1-ene
CID 22399062
4-(2,2-Dimethylbut-3-enoxymethoxy)-3,3-dimethylbut-1-ene
CID 57845991
1,1-Diethoxyhept-1-ene
CID 85898309
(E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene
CID 87106046
(Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene
CID 87752208
(Z)-1-ethoxy-1-[(Z)-1-ethoxyprop-1-enoxy]prop-1-ene
CID 87874552

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-3,3-dimethylbut-1-ene?
The IUPAC name of 1,1-diethoxy-3,3-dimethylbut-1-ene (CID 21437176) is 1,1-diethoxy-3,3-dimethylbut-1-ene.
What is the SMILES notation for 1,1-diethoxy-3,3-dimethylbut-1-ene?
The canonical SMILES for 1,1-diethoxy-3,3-dimethylbut-1-ene is CCOC(=CC(C)(C)C)OCC.
What is the InChIKey of 1,1-diethoxy-3,3-dimethylbut-1-ene?
The InChIKey is XIZFMRDFIWGRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-6-11-9(12-7-2)8-10(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 1,1-diethoxy-3,3-dimethylbut-1-ene?
1,1-diethoxy-3,3-dimethylbut-1-ene has a molecular weight of 172.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-3,3-dimethylbut-1-ene is sourced from PubChem (CID 21437176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).