3-(3-hydroxypropoxy)but-3-en-2-ol

C7H14O3 — CID 118899612

IUPAC3-(3-hydroxypropoxy)but-3-en-2-ol
SMILESC=C(OCCCO)C(C)O
InChIInChI=1S/C7H14O3/c1-6(9)7(2)10-5-3-4-8/h6,8-9H,2-5H2,1H3
InChIKeyVWMOCPCOPWZROK-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.28
Rot. Bonds5

About 3-(3-hydroxypropoxy)but-3-en-2-ol

3-(3-hydroxypropoxy)but-3-en-2-ol (PubChem CID 118899612) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-(3-hydroxypropoxy)but-3-en-2-ol.

Molecular Properties

Compound Name3-(3-hydroxypropoxy)but-3-en-2-ol
PubChem CID118899612
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name3-(3-hydroxypropoxy)but-3-en-2-ol
SMILESC=C(OCCCO)C(C)O
InChIInChI=1S/C7H14O3/c1-6(9)7(2)10-5-3-4-8/h6,8-9H,2-5H2,1H3
InChIKeyVWMOCPCOPWZROK-UHFFFAOYSA-N
XLogP0.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxypropyl 2-methylidenebutanoate
CID 54326039
3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol
CID 177319356
ethane-1,2-diol;ethene;propane-1,3-diol;propan-2-ol
CID 173152517
3-hydroxypropoxymethanediol
CID 54044719
3-(3-butoxy-2-methylbut-3-enyl)sulfanylpropane-1,2-diol
CID 89007958
ethane;3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxypropan-1-ol
CID 153333983
5-hydroxypentyl (2R)-2-amino-3-methylbutanoate
CID 87078511
1-O-(3-hydroxypropyl) 4-O-methyl 2,3-dimethylidenebutanedioate
CID 140998471
3-hydroxypropyl 4-methylpentanoate
CID 87401837
6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate
CID 18471853
16-hydroxyhexadecyl 2-methylpropanoate
CID 134918438
3-hydroxypropyl 2,2-dimethoxyacetate
CID 154099024

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropoxy)but-3-en-2-ol?
The IUPAC name of 3-(3-hydroxypropoxy)but-3-en-2-ol (CID 118899612) is 3-(3-hydroxypropoxy)but-3-en-2-ol.
What is the SMILES notation for 3-(3-hydroxypropoxy)but-3-en-2-ol?
The canonical SMILES for 3-(3-hydroxypropoxy)but-3-en-2-ol is C=C(OCCCO)C(C)O.
What is the InChIKey of 3-(3-hydroxypropoxy)but-3-en-2-ol?
The InChIKey is VWMOCPCOPWZROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-6(9)7(2)10-5-3-4-8/h6,8-9H,2-5H2,1H3.
What are the key properties of 3-(3-hydroxypropoxy)but-3-en-2-ol?
3-(3-hydroxypropoxy)but-3-en-2-ol has a molecular weight of 146.19 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropoxy)but-3-en-2-ol is sourced from PubChem (CID 118899612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).