4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol

C12H22O2 — CID 10465347

IUPAC4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol
SMILESC=C1C(O)OC(CCC)(CCC)C1C
InChIInChI=1S/C12H22O2/c1-5-7-12(8-6-2)10(4)9(3)11(13)14-12/h10-11,13H,3,5-8H2,1-2,4H3
InChIKeyOGXVTQDXJHYUCH-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.87
Rot. Bonds4

About 4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol

4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol (PubChem CID 10465347) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol.

Molecular Properties

Compound Name4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol
PubChem CID10465347
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol
SMILESC=C1C(O)OC(CCC)(CCC)C1C
InChIInChI=1S/C12H22O2/c1-5-7-12(8-6-2)10(4)9(3)11(13)14-12/h10-11,13H,3,5-8H2,1-2,4H3
InChIKeyOGXVTQDXJHYUCH-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol?
The IUPAC name of 4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol (CID 10465347) is 4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol.
What is the SMILES notation for 4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol?
The canonical SMILES for 4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol is C=C1C(O)OC(CCC)(CCC)C1C.
What is the InChIKey of 4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol?
The InChIKey is OGXVTQDXJHYUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-7-12(8-6-2)10(4)9(3)11(13)14-12/h10-11,13H,3,5-8H2,1-2,4H3.
What are the key properties of 4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol?
4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylidene-5,5-dipropyloxolan-2-ol is sourced from PubChem (CID 10465347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).