(2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol

C11H20O3 — CID 14863224

IUPAC(2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol
SMILESC=CCOC1O[C@H](C)[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C11H20O3/c1-5-6-13-11-8(3)10(12)7(2)9(4)14-11/h5,7-12H,1,6H2,2-4H3/t7-,8+,9+,10-,11?/m0/s1
InChIKeyGMVZCQBLPMHHRI-SEBBVZKISA-N
MW200.28 g/mol
LogP1.57
Rot. Bonds3

About (2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol

(2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol (PubChem CID 14863224) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol
PubChem CID14863224
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol
SMILESC=CCOC1O[C@H](C)[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C11H20O3/c1-5-6-13-11-8(3)10(12)7(2)9(4)14-11/h5,7-12H,1,6H2,2-4H3/t7-,8+,9+,10-,11?/m0/s1
InChIKeyGMVZCQBLPMHHRI-SEBBVZKISA-N
XLogP1.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol with MolForge

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Related Compounds

(4R,5S,6R)-5-methyl-6-[(E)-prop-1-enyl]oxane-2,4-diol
CID 11229058
(5S)-4,4-dimethyl-5-(oxan-2-yloxy)hept-6-en-3-ol
CID 11042919
2-Ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
CID 21339254
(3,4,5-Trimethyl-6-prop-2-enoxyoxan-2-yl)methanol
CID 21339267
2-(2-Ethenyl-4-ethyl-1,3-dioxan-4-yl)ethanol
CID 54073643
(2R,3S,4R,5R,6S)-2-ethyl-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol
CID 57605788
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol
CID 57605794
(3R,4R,6R)-2-(hydroxymethyl)-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol
CID 58153213
(3R,5R,6R)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 58241359
(3R,4S,6R)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 58241381
(3S,5R,6S)-2,4,5-trimethyl-6-prop-2-enoxyoxan-3-ol
CID 58537572
(3S,5R,6S)-2,4-dimethyl-6-prop-2-enoxyoxane-3,5-diol
CID 58537639

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol?
The IUPAC name of (2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol (CID 14863224) is (2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol.
What is the SMILES notation for (2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol?
The canonical SMILES for (2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol is C=CCOC1O[C@H](C)[C@H](C)[C@H](O)[C@H]1C.
What is the InChIKey of (2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol?
The InChIKey is GMVZCQBLPMHHRI-SEBBVZKISA-N. The full InChI is InChI=1S/C11H20O3/c1-5-6-13-11-8(3)10(12)7(2)9(4)14-11/h5,7-12H,1,6H2,2-4H3/t7-,8+,9+,10-,11?/m0/s1.
What are the key properties of (2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol?
(2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol has a molecular weight of 200.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol is sourced from PubChem (CID 14863224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).