(2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol

C12H22O3 — CID 10867649

IUPAC(2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol
SMILESC=C[C@@H]1OCCC[C@H]1O[C@H](C)C[C@@H](C)O
InChIInChI=1S/C12H22O3/c1-4-11-12(6-5-7-14-11)15-10(3)8-9(2)13/h4,9-13H,1,5-8H2,2-3H3/t9-,10-,11+,12-/m1/s1
InChIKeyHCBICHGAZYJYFO-WISYIIOYSA-N
MW214.30 g/mol
LogP1.90
Rot. Bonds5

About (2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol

(2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol (PubChem CID 10867649) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol.

Molecular Properties

Compound Name(2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol
PubChem CID10867649
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol
SMILESC=C[C@@H]1OCCC[C@H]1O[C@H](C)C[C@@H](C)O
InChIInChI=1S/C12H22O3/c1-4-11-12(6-5-7-14-11)15-10(3)8-9(2)13/h4,9-13H,1,5-8H2,2-3H3/t9-,10-,11+,12-/m1/s1
InChIKeyHCBICHGAZYJYFO-WISYIIOYSA-N
XLogP1.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.90
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

(2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane
CID 132969009
(2S)-2-hept-6-en-2-yloxyoxane
CID 139755185
(2S)-1-(1,3-dioxan-2-yl)propan-2-ol
CID 14290520
(2S,3S)-2-ethenyloxane-3-carboxylic acid
CID 124710311
1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
O-[1-(oxolan-2-yl)propan-2-yl]hydroxylamine
CID 117104758
2-[(2S)-but-3-en-2-yl]oxyoxane
CID 11019115
1-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 68624351
3-(oxan-2-yloxy)butanoic acid
CID 14279636
1-(oxolan-2-yl)pent-4-en-1-ol
CID 10511102
1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]ethoxy]propan-2-ol
CID 54459416
(2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane
CID 102446457

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol?
The IUPAC name of (2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol (CID 10867649) is (2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol.
What is the SMILES notation for (2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol?
The canonical SMILES for (2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol is C=C[C@@H]1OCCC[C@H]1O[C@H](C)C[C@@H](C)O.
What is the InChIKey of (2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol?
The InChIKey is HCBICHGAZYJYFO-WISYIIOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-11-12(6-5-7-14-11)15-10(3)8-9(2)13/h4,9-13H,1,5-8H2,2-3H3/t9-,10-,11+,12-/m1/s1.
What are the key properties of (2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol?
(2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol has a molecular weight of 214.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol is sourced from PubChem (CID 10867649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).