(2S,3S)-2-prop-2-enoxyoxan-3-ol

C8H14O3 — CID 130770210

IUPAC(2S,3S)-2-prop-2-enoxyoxan-3-ol
SMILESC=CCO[C@@H]1OCCC[C@@H]1O
InChIInChI=1S/C8H14O3/c1-2-5-10-8-7(9)4-3-6-11-8/h2,7-9H,1,3-6H2/t7-,8+/m0/s1
InChIKeyVSBLGMVQWDCGCK-JGVFFNPUSA-N
MW158.20 g/mol
LogP0.69
Rot. Bonds3

About (2S,3S)-2-prop-2-enoxyoxan-3-ol

(2S,3S)-2-prop-2-enoxyoxan-3-ol (PubChem CID 130770210) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S,3S)-2-prop-2-enoxyoxan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-prop-2-enoxyoxan-3-ol
PubChem CID130770210
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2S,3S)-2-prop-2-enoxyoxan-3-ol
SMILESC=CCO[C@@H]1OCCC[C@@H]1O
InChIInChI=1S/C8H14O3/c1-2-5-10-8-7(9)4-3-6-11-8/h2,7-9H,1,3-6H2/t7-,8+/m0/s1
InChIKeyVSBLGMVQWDCGCK-JGVFFNPUSA-N
XLogP0.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol
CID 54319451
(2S,3R)-2-prop-2-enyloxan-3-ol
CID 14917728
3-chloro-2-prop-2-enoxyoxolane
CID 524380
(2R)-2-decoxyoxan-3-ol
CID 164930030
2-(3-aminopropoxy)oxan-3-ol;methanol
CID 176676704
trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol
CID 11205806
(3R)-3-iodo-2-(3-methylbut-2-enoxy)oxane
CID 135073352
2-methoxyoxan-3-ol;propan-1-ol
CID 145057675
(2S,3R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]oxyoxan-3-ol
CID 100945608
[(2S,3R)-2-prop-2-enoxyoxan-3-yl] octanoate
CID 10869836
(2S,3R)-2-[(4-methoxyphenyl)methoxy]oxan-3-ol
CID 10037202
(2S,3R)-2-[2-(furan-2-yl)ethoxy]oxan-3-ol
CID 24787768

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-prop-2-enoxyoxan-3-ol?
The IUPAC name of (2S,3S)-2-prop-2-enoxyoxan-3-ol (CID 130770210) is (2S,3S)-2-prop-2-enoxyoxan-3-ol.
What is the SMILES notation for (2S,3S)-2-prop-2-enoxyoxan-3-ol?
The canonical SMILES for (2S,3S)-2-prop-2-enoxyoxan-3-ol is C=CCO[C@@H]1OCCC[C@@H]1O.
What is the InChIKey of (2S,3S)-2-prop-2-enoxyoxan-3-ol?
The InChIKey is VSBLGMVQWDCGCK-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-5-10-8-7(9)4-3-6-11-8/h2,7-9H,1,3-6H2/t7-,8+/m0/s1.
What are the key properties of (2S,3S)-2-prop-2-enoxyoxan-3-ol?
(2S,3S)-2-prop-2-enoxyoxan-3-ol has a molecular weight of 158.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-prop-2-enoxyoxan-3-ol is sourced from PubChem (CID 130770210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).