4-ethoxypent-1-ene

C7H14O — CID 12776575

IUPAC4-ethoxypent-1-ene
SMILESC=CCC(C)OCC
InChIInChI=1S/C7H14O/c1-4-6-7(3)8-5-2/h4,7H,1,5-6H2,2-3H3
InChIKeyBLTLIJCWPJOFLQ-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.99
Rot. Bonds4

About 4-ethoxypent-1-ene

4-ethoxypent-1-ene (PubChem CID 12776575) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 4-ethoxypent-1-ene.

Molecular Properties

Compound Name4-ethoxypent-1-ene
PubChem CID12776575
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name4-ethoxypent-1-ene
SMILESC=CCC(C)OCC
InChIInChI=1S/C7H14O/c1-4-6-7(3)8-5-2/h4,7H,1,5-6H2,2-3H3
InChIKeyBLTLIJCWPJOFLQ-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-pent-4-en-2-yloxypropan-2-yloxysilane
CID 175067300
ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate
CID 121308140
N-(2-ethoxypropyl)hex-5-en-2-amine
CID 104582728
ethoxy-dimethyl-pent-4-en-2-yloxysilane
CID 87655810
2-methyl-4-pent-4-en-2-yloxybutan-2-ol
CID 534863
[2-[(2S)-pent-4-en-2-yl]oxyethylideneamino]methanol
CID 123528641
3,5-diethoxyhexanal
CID 154151455
(E)-N-pent-4-en-2-yloxypropan-1-imine
CID 173295530
3-prop-2-enoxybutanal
CID 12509754
(4S)-2-ethoxy-4-methoxypentane
CID 88970287
[(2R)-pent-4-en-2-yl] acetate
CID 11040717
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366

Frequently Asked Questions

What is the IUPAC name of 4-ethoxypent-1-ene?
The IUPAC name of 4-ethoxypent-1-ene (CID 12776575) is 4-ethoxypent-1-ene.
What is the SMILES notation for 4-ethoxypent-1-ene?
The canonical SMILES for 4-ethoxypent-1-ene is C=CCC(C)OCC.
What is the InChIKey of 4-ethoxypent-1-ene?
The InChIKey is BLTLIJCWPJOFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-4-6-7(3)8-5-2/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 4-ethoxypent-1-ene?
4-ethoxypent-1-ene has a molecular weight of 114.19 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxypent-1-ene is sourced from PubChem (CID 12776575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).