1,1-diethoxybut-1-en-2-ylbenzene

C14H20O2 — CID 66973345

IUPAC1,1-diethoxybut-1-en-2-ylbenzene
SMILESCCOC(OCC)=C(CC)c1ccccc1
InChIInChI=1S/C14H20O2/c1-4-13(12-10-8-7-9-11-12)14(15-5-2)16-6-3/h7-11H,4-6H2,1-3H3
InChIKeyCPBUXQGIODZAMT-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.84
Rot. Bonds6

About 1,1-diethoxybut-1-en-2-ylbenzene

1,1-diethoxybut-1-en-2-ylbenzene (PubChem CID 66973345) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1,1-diethoxybut-1-en-2-ylbenzene.

Molecular Properties

Compound Name1,1-diethoxybut-1-en-2-ylbenzene
PubChem CID66973345
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1,1-diethoxybut-1-en-2-ylbenzene
SMILESCCOC(OCC)=C(CC)c1ccccc1
InChIInChI=1S/C14H20O2/c1-4-13(12-10-8-7-9-11-12)14(15-5-2)16-6-3/h7-11H,4-6H2,1-3H3
InChIKeyCPBUXQGIODZAMT-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.84
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

ethyl (E)-2-methyl-3-phenylpent-2-enoate
CID 11310524
ethyl (Z)-2-methyl-3-phenylpent-2-enoate
CID 15743107
4-phenylhex-3-en-3-amine
CID 140615450
trimethyl-[(Z)-1-[(2-methylpropan-2-yl)oxy]-2-phenylbut-1-enoxy]silane
CID 101240316
trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]-2-phenylbut-1-enoxy]silane
CID 101240315
3,3-diethoxy-2-phenylprop-2-enoic acid
CID 129094256
[(Z)-4-methylhex-3-en-3-yl]benzene
CID 142361639
ethyl 4,4-dicyano-3-phenylbut-3-enoate
CID 10514187
ethyl 4-methyl-3-phenylpent-3-enoate
CID 14521609
CID 158970570
CID 158970570
[ethoxy(phenyl)methylidene]azanium chloride
CID 11030512
(E)-2-methyl-3-phenylpent-2-en-1-ol
CID 134126530

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxybut-1-en-2-ylbenzene?
The IUPAC name of 1,1-diethoxybut-1-en-2-ylbenzene (CID 66973345) is 1,1-diethoxybut-1-en-2-ylbenzene.
What is the SMILES notation for 1,1-diethoxybut-1-en-2-ylbenzene?
The canonical SMILES for 1,1-diethoxybut-1-en-2-ylbenzene is CCOC(OCC)=C(CC)c1ccccc1.
What is the InChIKey of 1,1-diethoxybut-1-en-2-ylbenzene?
The InChIKey is CPBUXQGIODZAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-13(12-10-8-7-9-11-12)14(15-5-2)16-6-3/h7-11H,4-6H2,1-3H3.
What are the key properties of 1,1-diethoxybut-1-en-2-ylbenzene?
1,1-diethoxybut-1-en-2-ylbenzene has a molecular weight of 220.31 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxybut-1-en-2-ylbenzene is sourced from PubChem (CID 66973345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).