1-buta-2,3-dien-2-yloxyethanol

C6H10O2 — CID 130286219

IUPAC1-buta-2,3-dien-2-yloxyethanol
SMILESC=C=C(C)OC(C)O
InChIInChI=1S/C6H10O2/c1-4-5(2)8-6(3)7/h6-7H,1H2,2-3H3
InChIKeyYJZRJLXQFHIITI-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.03
Rot. Bonds2

About 1-buta-2,3-dien-2-yloxyethanol

1-buta-2,3-dien-2-yloxyethanol (PubChem CID 130286219) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 1-buta-2,3-dien-2-yloxyethanol.

Molecular Properties

Compound Name1-buta-2,3-dien-2-yloxyethanol
PubChem CID130286219
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name1-buta-2,3-dien-2-yloxyethanol
SMILESC=C=C(C)OC(C)O
InChIInChI=1S/C6H10O2/c1-4-5(2)8-6(3)7/h6-7H,1H2,2-3H3
InChIKeyYJZRJLXQFHIITI-UHFFFAOYSA-N
XLogP1.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol
CID 130874615
1-hydroxyethyl N-methylethanimidate
CID 88562945
2-prop-1-en-2-yloxyhexa-4,5-dien-3-one
CID 90694750
disodium;acetic acid;hydride;1-hydroxyethyl cyanoformate
CID 173459938
1-hydroxyethyl 2-chloroprop-2-enoate
CID 22155739
1-hydroxyethyl 2-oxoacetate
CID 118499167
(3R)-4-methylhexa-4,5-dien-3-ol
CID 11029792
1-hydroxyethyl N-methylcarbamate
CID 21270273
1-hydroxyethyl 2-amino-3-methylbutanoate
CID 87071351
(3S)-2,4-dimethylhexa-4,5-dien-3-amine
CID 55284875
1-hydroxyethyl hypobromite
CID 141268184
ethane;1-methoxyethanol
CID 157348595

Frequently Asked Questions

What is the IUPAC name of 1-buta-2,3-dien-2-yloxyethanol?
The IUPAC name of 1-buta-2,3-dien-2-yloxyethanol (CID 130286219) is 1-buta-2,3-dien-2-yloxyethanol.
What is the SMILES notation for 1-buta-2,3-dien-2-yloxyethanol?
The canonical SMILES for 1-buta-2,3-dien-2-yloxyethanol is C=C=C(C)OC(C)O.
What is the InChIKey of 1-buta-2,3-dien-2-yloxyethanol?
The InChIKey is YJZRJLXQFHIITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-5(2)8-6(3)7/h6-7H,1H2,2-3H3.
What are the key properties of 1-buta-2,3-dien-2-yloxyethanol?
1-buta-2,3-dien-2-yloxyethanol has a molecular weight of 114.14 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-2,3-dien-2-yloxyethanol is sourced from PubChem (CID 130286219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).