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

C8H14O2 — CID 14982330

IUPAC(3R,4S)-4-prop-1-en-2-yloxan-3-ol
SMILESC=C(C)[C@@H]1CCOC[C@@H]1O
InChIInChI=1S/C8H14O2/c1-6(2)7-3-4-10-5-8(7)9/h7-9H,1,3-5H2,2H3/t7-,8-/m0/s1
InChIKeySKPHTXPGYVNRDK-YUMQZZPRSA-N
MW142.20 g/mol
LogP0.96
Rot. Bonds1

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

(3R,4S)-4-prop-1-en-2-yloxan-3-ol (PubChem CID 14982330) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3R,4S)-4-prop-1-en-2-yloxan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-prop-1-en-2-yloxan-3-ol
PubChem CID14982330
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3R,4S)-4-prop-1-en-2-yloxan-3-ol
SMILESC=C(C)[C@@H]1CCOC[C@@H]1O
InChIInChI=1S/C8H14O2/c1-6(2)7-3-4-10-5-8(7)9/h7-9H,1,3-5H2,2H3/t7-,8-/m0/s1
InChIKeySKPHTXPGYVNRDK-YUMQZZPRSA-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

3-methoxy-4-prop-1-en-2-yloxane
CID 163535676
(4R)-3-hydroxyoxane-4-carboxylic acid
CID 156677456
cis-(1R,2R)-2-prop-1-en-2-ylcyclopentan-1-ol
CID 12033954
(3S,4R)-4-(methylamino)oxan-3-ol
CID 68677504
(3S)-3-prop-1-en-2-yloxane
CID 154017208
CID 170516792
CID 170516792
oxolan-3-ol;propane
CID 144858845
3-methyl-1-(3-methyloxan-4-yl)but-3-en-1-one
CID 130491993
ethane;(3R)-oxolan-3-ol
CID 145226146
ethane;oxepane-3,5-diol
CID 176685419
3-(methylamino)oxan-4-ol
CID 55287171
2-prop-1-en-2-yl-1,4-dioxane
CID 178036695

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-prop-1-en-2-yloxan-3-ol?
The IUPAC name of (3R,4S)-4-prop-1-en-2-yloxan-3-ol (CID 14982330) is (3R,4S)-4-prop-1-en-2-yloxan-3-ol.
What is the SMILES notation for (3R,4S)-4-prop-1-en-2-yloxan-3-ol?
The canonical SMILES for (3R,4S)-4-prop-1-en-2-yloxan-3-ol is C=C(C)[C@@H]1CCOC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-prop-1-en-2-yloxan-3-ol?
The InChIKey is SKPHTXPGYVNRDK-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)7-3-4-10-5-8(7)9/h7-9H,1,3-5H2,2H3/t7-,8-/m0/s1.
What are the key properties of (3R,4S)-4-prop-1-en-2-yloxan-3-ol?
(3R,4S)-4-prop-1-en-2-yloxan-3-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 (3R,4S)-4-prop-1-en-2-yloxan-3-ol is sourced from PubChem (CID 14982330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).