(2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane

C9H16O2 — CID 134931639

IUPAC(2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane
SMILESC=CC[C@@H]1C[C@H](COC)CO1
InChIInChI=1S/C9H16O2/c1-3-4-9-5-8(6-10-2)7-11-9/h3,8-9H,1,4-7H2,2H3/t8-,9-/m1/s1
InChIKeyYJBQXDWOQGRUIQ-RKDXNWHRSA-N
MW156.22 g/mol
LogP1.61
Rot. Bonds4

About (2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane

(2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane (PubChem CID 134931639) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane.

Molecular Properties

Compound Name(2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane
PubChem CID134931639
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane
SMILESC=CC[C@@H]1C[C@H](COC)CO1
InChIInChI=1S/C9H16O2/c1-3-4-9-5-8(6-10-2)7-11-9/h3,8-9H,1,4-7H2,2H3/t8-,9-/m1/s1
InChIKeyYJBQXDWOQGRUIQ-RKDXNWHRSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane
CID 134992748
(2R,3S)-3-ethenyl-2-propyloxolane
CID 134995923
(2S,3R)-4-methoxy-3-(5-methoxypent-4-enyl)-2-methyl-2,3-dihydrofuran
CID 135039074
2-Propan-2-yl-5-prop-2-enyloxolane
CID 16704649
2-Ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane
CID 18716210
2,5-Bis(ethenyl)-3,4-bis(methoxymethyl)oxolane
CID 20682585
3,4-Bis(ethenyl)-2-methyl-5-prop-2-enyloxolane
CID 58460926
(3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane
CID 59883477
(4R)-4-(2-methoxypent-4-en-2-yl)-2,2-dimethyloxolane
CID 59911123
2-But-3-enyl-4-methyloxolane
CID 85212798
5-(2-Ethoxyethyl)-3-methyl-2-methylideneoxolane
CID 89003334
(4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane
CID 89392948

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane?
The IUPAC name of (2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane (CID 134931639) is (2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane.
What is the SMILES notation for (2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane?
The canonical SMILES for (2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane is C=CC[C@@H]1C[C@H](COC)CO1.
What is the InChIKey of (2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane?
The InChIKey is YJBQXDWOQGRUIQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-9-5-8(6-10-2)7-11-9/h3,8-9H,1,4-7H2,2H3/t8-,9-/m1/s1.
What are the key properties of (2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane?
(2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane has a molecular weight of 156.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(methoxymethyl)-2-prop-2-enyloxolane is sourced from PubChem (CID 134931639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).