1-but-3-enoxybutane

C8H16O — CID 545109

IUPAC1-but-3-enoxybutane
SMILESC=CCCOCCCC
InChIInChI=1S/C8H16O/c1-3-5-7-9-8-6-4-2/h3H,1,4-8H2,2H3
InChIKeyDQBLWVOFEZVBFT-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.38
Rot. Bonds6

About 1-but-3-enoxybutane

1-but-3-enoxybutane (PubChem CID 545109) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-but-3-enoxybutane.

Molecular Properties

Compound Name1-but-3-enoxybutane
PubChem CID545109
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-but-3-enoxybutane
SMILESC=CCCOCCCC
InChIInChI=1S/C8H16O/c1-3-5-7-9-8-6-4-2/h3H,1,4-8H2,2H3
InChIKeyDQBLWVOFEZVBFT-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxybut-1-ene
CID 317680
4-Ethoxybut-1-ene
CID 533994
5-Butoxy-1-pentene
CID 534792
2-Butoxypenta-1,4-diene
CID 14943226
1-But-1-enoxybutane
CID 347145
5-Ethoxypent-1-ene
CID 12402597
Homoallyl ether
CID 15273984
(E)-1,4-dibutoxybut-1-ene
CID 15357022
6-Ethoxyhex-1-ene
CID 17825069
5-(Pent-4-en-1-yloxy)pent-1-ene
CID 19612338
5-Hexenyl butyl ether
CID 21186914
Isopentenyl ether
CID 22034429

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxybutane?
The IUPAC name of 1-but-3-enoxybutane (CID 545109) is 1-but-3-enoxybutane.
What is the SMILES notation for 1-but-3-enoxybutane?
The canonical SMILES for 1-but-3-enoxybutane is C=CCCOCCCC.
What is the InChIKey of 1-but-3-enoxybutane?
The InChIKey is DQBLWVOFEZVBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-5-7-9-8-6-4-2/h3H,1,4-8H2,2H3.
What are the key properties of 1-but-3-enoxybutane?
1-but-3-enoxybutane has a molecular weight of 128.21 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxybutane is sourced from PubChem (CID 545109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).