3-prop-2-enoxybutane-1,2-diol

C7H14O3 — CID 14859753

IUPAC3-prop-2-enoxybutane-1,2-diol
SMILESC=CCOC(C)C(O)CO
InChIInChI=1S/C7H14O3/c1-3-4-10-6(2)7(9)5-8/h3,6-9H,1,4-5H2,2H3
InChIKeyAPMNLSGIGKTYEI-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.07
Rot. Bonds5

About 3-prop-2-enoxybutane-1,2-diol

3-prop-2-enoxybutane-1,2-diol (PubChem CID 14859753) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-prop-2-enoxybutane-1,2-diol.

Molecular Properties

Compound Name3-prop-2-enoxybutane-1,2-diol
PubChem CID14859753
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name3-prop-2-enoxybutane-1,2-diol
SMILESC=CCOC(C)C(O)CO
InChIInChI=1S/C7H14O3/c1-3-4-10-6(2)7(9)5-8/h3,6-9H,1,4-5H2,2H3
InChIKeyAPMNLSGIGKTYEI-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-methyl-3-prop-2-enoxypentane-1,2-diol
CID 59911129
3-prop-2-enoxypentane-1,2,4,5-tetrol
CID 142590945
hydroxy-methyl-bis(prop-2-enoxy)phosphanium
CID 174720559
sodium;hydride;2-hydroxy-3-prop-2-enoxybutane-1-sulfonic acid
CID 174494708
(E)-2-prop-2-enoxyhex-4-en-3-ol
CID 89174022
(2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol
CID 87506551
1,2-bis(prop-2-enoxy)propan-1-amine
CID 88546500
(2R,3S)-3-hexadecoxybutane-1,2-diol
CID 14233165
2-ethoxyoct-7-en-3-ol
CID 64541753
3-bromoprop-1-ene;propan-2-ol;2-prop-2-enoxypropane;uranium
CID 161486686
(2S,3S)-3-methylhept-6-ene-1,2-diol
CID 102243304
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxybutane-1,2-diol?
The IUPAC name of 3-prop-2-enoxybutane-1,2-diol (CID 14859753) is 3-prop-2-enoxybutane-1,2-diol.
What is the SMILES notation for 3-prop-2-enoxybutane-1,2-diol?
The canonical SMILES for 3-prop-2-enoxybutane-1,2-diol is C=CCOC(C)C(O)CO.
What is the InChIKey of 3-prop-2-enoxybutane-1,2-diol?
The InChIKey is APMNLSGIGKTYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-3-4-10-6(2)7(9)5-8/h3,6-9H,1,4-5H2,2H3.
What are the key properties of 3-prop-2-enoxybutane-1,2-diol?
3-prop-2-enoxybutane-1,2-diol has a molecular weight of 146.19 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxybutane-1,2-diol is sourced from PubChem (CID 14859753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).