(2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane

C12H22O2 — CID 135009088

IUPAC(2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane
SMILESC=C[C@@]1(C)CC(OCCCC)O[C@@H]1C
InChIInChI=1S/C12H22O2/c1-5-7-8-13-11-9-12(4,6-2)10(3)14-11/h6,10-11H,2,5,7-9H2,1,3-4H3/t10-,11?,12+/m1/s1
InChIKeyXYLWYUFPHKYORP-LWALXPGCSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds5

About (2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane

(2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane (PubChem CID 135009088) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane.

Molecular Properties

Compound Name(2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane
PubChem CID135009088
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane
SMILESC=C[C@@]1(C)CC(OCCCC)O[C@@H]1C
InChIInChI=1S/C12H22O2/c1-5-7-8-13-11-9-12(4,6-2)10(3)14-11/h6,10-11H,2,5,7-9H2,1,3-4H3/t10-,11?,12+/m1/s1
InChIKeyXYLWYUFPHKYORP-LWALXPGCSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-5-butoxy-2-but-3-ynyl-3-ethenyl-3-methyloxolane
CID 135037630
2-butoxy-3-methyloxirane
CID 87674208
(4R)-2-butoxy-4-methyloxolane
CID 11789482
(2R,3S,5S)-5-butoxy-3-methyl-2-pentyloxolane
CID 101097713
3-butoxy-1-methylcyclobutan-1-amine
CID 118087407
2-butoxy-4,6-dimethyloxane-3,4,5-triol
CID 162936951
2-butoxy-4-methylideneoxolane
CID 86160912
(2S,3R,6S)-3,4,5-tributoxy-2-methyl-6-propan-2-yloxane
CID 71163839
2-butoxy-1,1-dichlorocyclopropane
CID 26263
(2S,3R,4R,6R)-6-[4-[(2R,4R,5R,6S)-4-(15N)azanyl-6-methyl-5-prop-2-enoxyoxan-2-yl]oxybutoxy]-2-methyl-3-prop-2-enoxyoxan-4-amine
CID 11384884
2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane
CID 11790491
2-decoxy-6-methyloxane
CID 160930984

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane?
The IUPAC name of (2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane (CID 135009088) is (2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane.
What is the SMILES notation for (2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane?
The canonical SMILES for (2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane is C=C[C@@]1(C)CC(OCCCC)O[C@@H]1C.
What is the InChIKey of (2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane?
The InChIKey is XYLWYUFPHKYORP-LWALXPGCSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-7-8-13-11-9-12(4,6-2)10(3)14-11/h6,10-11H,2,5,7-9H2,1,3-4H3/t10-,11?,12+/m1/s1.
What are the key properties of (2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane?
(2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane has a molecular weight of 198.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-butoxy-3-ethenyl-2,3-dimethyloxolane is sourced from PubChem (CID 135009088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).