(3S,4R)-3-prop-1-en-2-yloxan-4-ol

C8H14O2 — CID 122367347

IUPAC(3S,4R)-3-prop-1-en-2-yloxan-4-ol
SMILESC=C(C)[C@H]1COCC[C@H]1O
InChIInChI=1S/C8H14O2/c1-6(2)7-5-10-4-3-8(7)9/h7-9H,1,3-5H2,2H3/t7-,8-/m1/s1
InChIKeyMGOHRXPVYKHRSG-HTQZYQBOSA-N
MW142.20 g/mol
LogP0.96
Rot. Bonds1

About (3S,4R)-3-prop-1-en-2-yloxan-4-ol

(3S,4R)-3-prop-1-en-2-yloxan-4-ol (PubChem CID 122367347) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3S,4R)-3-prop-1-en-2-yloxan-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-prop-1-en-2-yloxan-4-ol
PubChem CID122367347
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3S,4R)-3-prop-1-en-2-yloxan-4-ol
SMILESC=C(C)[C@H]1COCC[C@H]1O
InChIInChI=1S/C8H14O2/c1-6(2)7-5-10-4-3-8(7)9/h7-9H,1,3-5H2,2H3/t7-,8-/m1/s1
InChIKeyMGOHRXPVYKHRSG-HTQZYQBOSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Methylprop-2-enyl)oxan-4-ol
CID 101891443
(2R,3R,4S)-2,4,5-trimethylhex-5-ene-1,3-diol
CID 134895244
(2R,4R,5S)-5-ethenyl-2-methyloxan-4-ol
CID 101412810
4,5-Dimethylhex-5-ene-1,3-diol
CID 13499014
(2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol
CID 54473259
[(4R)-4-methyl-6-methylideneoxan-2-yl]methanol
CID 58858623
[(2S,4R)-4-methyl-6-methylideneoxan-2-yl]methanol
CID 58858627
2-Methylidene-6-propan-2-yloxan-4-ol
CID 59873113
1-(Oxan-4-yl)but-3-en-1-ol
CID 65329322
(4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol
CID 89190528
(3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol
CID 89257762
3-Methoxy-2,5-dimethylhex-5-en-1-ol
CID 91615806

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-prop-1-en-2-yloxan-4-ol?
The IUPAC name of (3S,4R)-3-prop-1-en-2-yloxan-4-ol (CID 122367347) is (3S,4R)-3-prop-1-en-2-yloxan-4-ol.
What is the SMILES notation for (3S,4R)-3-prop-1-en-2-yloxan-4-ol?
The canonical SMILES for (3S,4R)-3-prop-1-en-2-yloxan-4-ol is C=C(C)[C@H]1COCC[C@H]1O.
What is the InChIKey of (3S,4R)-3-prop-1-en-2-yloxan-4-ol?
The InChIKey is MGOHRXPVYKHRSG-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)7-5-10-4-3-8(7)9/h7-9H,1,3-5H2,2H3/t7-,8-/m1/s1.
What are the key properties of (3S,4R)-3-prop-1-en-2-yloxan-4-ol?
(3S,4R)-3-prop-1-en-2-yloxan-4-ol has a molecular weight of 142.20 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-prop-1-en-2-yloxan-4-ol is sourced from PubChem (CID 122367347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).