1-but-2-enoxybutan-1-ol

C8H16O2 — CID 141328294

IUPAC1-but-2-enoxybutan-1-ol
SMILESCC=CCOC(O)CCC
InChIInChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyXTMXNWKJBFJOPQ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.70
Rot. Bonds5

About 1-but-2-enoxybutan-1-ol

1-but-2-enoxybutan-1-ol (PubChem CID 141328294) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-but-2-enoxybutan-1-ol.

Molecular Properties

Compound Name1-but-2-enoxybutan-1-ol
PubChem CID141328294
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-but-2-enoxybutan-1-ol
SMILESCC=CCOC(O)CCC
InChIInChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyXTMXNWKJBFJOPQ-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;bis(1-methoxybutan-1-ol)
CID 144737274
1-(ethoxymethoxy)butan-1-ol
CID 19047954
[(1R)-1-[(E)-but-2-enoxy]propyl]-tributylstannane
CID 11133191
1-undecoxybutan-1-ol
CID 139971924
1-(1-chloroethoxy)but-2-ene
CID 91247545
2-but-2-enoxypropanehydrazide
CID 76999476
(E)-dec-8-en-4-ol
CID 19937281
dec-8-en-4-ol
CID 56606618
N-[2-[(1S)-1-hydroxybutoxy]ethyl]formamide
CID 118214490
[(E)-hex-2-enoxy]methanediol
CID 138520161
1-(4-hexoxybutoxy)butan-1-ol
CID 141002472
1-[(E)-but-2-enoxy]propyl-trimethoxysilane
CID 18672775

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enoxybutan-1-ol?
The IUPAC name of 1-but-2-enoxybutan-1-ol (CID 141328294) is 1-but-2-enoxybutan-1-ol.
What is the SMILES notation for 1-but-2-enoxybutan-1-ol?
The canonical SMILES for 1-but-2-enoxybutan-1-ol is CC=CCOC(O)CCC.
What is the InChIKey of 1-but-2-enoxybutan-1-ol?
The InChIKey is XTMXNWKJBFJOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3,5,8-9H,4,6-7H2,1-2H3.
What are the key properties of 1-but-2-enoxybutan-1-ol?
1-but-2-enoxybutan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enoxybutan-1-ol is sourced from PubChem (CID 141328294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).