(1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol

C13H24O5 — CID 134893643

IUPAC(1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
SMILESC=C(C(OCC)OCC)[C@@H](O)C1COC(C)(C)O1
InChIInChI=1S/C13H24O5/c1-6-15-12(16-7-2)9(3)11(14)10-8-17-13(4,5)18-10/h10-12,14H,3,6-8H2,1-2,4-5H3/t10?,11-/m1/s1
InChIKeyPGARUTMSQDPWSS-RRKGBCIJSA-N
MW260.33 g/mol
LogP1.45
Rot. Bonds7

About (1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol

(1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol (PubChem CID 134893643) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is (1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
PubChem CID134893643
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name(1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
SMILESC=C(C(OCC)OCC)[C@@H](O)C1COC(C)(C)O1
InChIInChI=1S/C13H24O5/c1-6-15-12(16-7-2)9(3)11(14)10-8-17-13(4,5)18-10/h10-12,14H,3,6-8H2,1-2,4-5H3/t10?,11-/m1/s1
InChIKeyPGARUTMSQDPWSS-RRKGBCIJSA-N
XLogP1.45
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5S)-2-[(2E,4S)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]oxane-3,4,5-triol
CID 101849416
(R)-1-((4R,5S)-2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 11063164
1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 155185118
(2R,3E,4S,5R)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol
CID 59096586
(2R,4S,5R)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol
CID 90855435
(3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol
CID 142276124
(S)-5,5-diethoxy-3-methylene-1,2-pentanediol
CID 11052733
[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
CID 11735583
(2S-trans)-tetrahydro-5-ethoxy-3-methylene-2-furanmethanol
CID 57050782
(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 11263931
(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 14015751
3-Deoxy-3-c-methylene-glucofuranose
CID 129829109

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol?
The IUPAC name of (1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol (CID 134893643) is (1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol.
What is the SMILES notation for (1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol?
The canonical SMILES for (1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol is C=C(C(OCC)OCC)[C@@H](O)C1COC(C)(C)O1.
What is the InChIKey of (1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol?
The InChIKey is PGARUTMSQDPWSS-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H24O5/c1-6-15-12(16-7-2)9(3)11(14)10-8-17-13(4,5)18-10/h10-12,14H,3,6-8H2,1-2,4-5H3/t10?,11-/m1/s1.
What are the key properties of (1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol?
(1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol has a molecular weight of 260.33 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 134893643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).