3-(2-methoxypropan-2-yl)-4-methylideneoxolane

C9H16O2 — CID 15483045

IUPAC3-(2-methoxypropan-2-yl)-4-methylideneoxolane
SMILESC=C1COCC1C(C)(C)OC
InChIInChI=1S/C9H16O2/c1-7-5-11-6-8(7)9(2,3)10-4/h8H,1,5-6H2,2-4H3
InChIKeyWHLJPNIRXKQLLE-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.61
Rot. Bonds2

About 3-(2-methoxypropan-2-yl)-4-methylideneoxolane

3-(2-methoxypropan-2-yl)-4-methylideneoxolane (PubChem CID 15483045) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-(2-methoxypropan-2-yl)-4-methylideneoxolane.

Molecular Properties

Compound Name3-(2-methoxypropan-2-yl)-4-methylideneoxolane
PubChem CID15483045
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-(2-methoxypropan-2-yl)-4-methylideneoxolane
SMILESC=C1COCC1C(C)(C)OC
InChIInChI=1S/C9H16O2/c1-7-5-11-6-8(7)9(2,3)10-4/h8H,1,5-6H2,2-4H3
InChIKeyWHLJPNIRXKQLLE-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

2-(4-Methylideneoxolan-3-yl)propan-2-ol
CID 11446393
2,5-Bis(ethenyl)-3,4-bis(methoxymethyl)oxolane
CID 20682585
2-Ethenyl-3-(2-ethoxyethoxy)-2-methyl-3-propan-2-yloxolane
CID 121440298
2-Ethenyl-2-methyl-3-prop-1-en-2-yloxolane
CID 151995266
3-Methylidene-4-propan-2-yloxolane
CID 154592639
4-Ethoxy-3,3,4-trimethyl-2-(propan-2-yloxymethyl)pent-1-ene
CID 166954190
(4R)-3-methylidene-4-propan-2-yloxolane
CID 168824534
2,2-Dimethyl-3-methylidene-4-prop-1-en-2-yloxolane
CID 13443182
2-(4-Methylideneoxolan-3-yl)propan-2-yl acetate
CID 15483046
4-(2-Methoxypropan-2-yl)-2,2-dimethyl-3-methylideneoxolane
CID 15483050
2,2,3-Trimethyl-4-prop-1-en-2-yloxolane
CID 21719850
4-(2-Methoxypropan-2-yl)-2-methyl-3-methylideneoxolane
CID 102462466

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropan-2-yl)-4-methylideneoxolane?
The IUPAC name of 3-(2-methoxypropan-2-yl)-4-methylideneoxolane (CID 15483045) is 3-(2-methoxypropan-2-yl)-4-methylideneoxolane.
What is the SMILES notation for 3-(2-methoxypropan-2-yl)-4-methylideneoxolane?
The canonical SMILES for 3-(2-methoxypropan-2-yl)-4-methylideneoxolane is C=C1COCC1C(C)(C)OC.
What is the InChIKey of 3-(2-methoxypropan-2-yl)-4-methylideneoxolane?
The InChIKey is WHLJPNIRXKQLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-5-11-6-8(7)9(2,3)10-4/h8H,1,5-6H2,2-4H3.
What are the key properties of 3-(2-methoxypropan-2-yl)-4-methylideneoxolane?
3-(2-methoxypropan-2-yl)-4-methylideneoxolane has a molecular weight of 156.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropan-2-yl)-4-methylideneoxolane is sourced from PubChem (CID 15483045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).