[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol

C12H22O3 — CID 116525124

IUPAC[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol
SMILESCC1(C)CCC(CC2(CO)CCOC2)O1
InChIInChI=1S/C12H22O3/c1-11(2)4-3-10(15-11)7-12(8-13)5-6-14-9-12/h10,13H,3-9H2,1-2H3
InChIKeyOPVWQGBSTZMLTR-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.73
Rot. Bonds3

About [3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol

[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol (PubChem CID 116525124) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is [3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol
PubChem CID116525124
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol
SMILESCC1(C)CCC(CC2(CO)CCOC2)O1
InChIInChI=1S/C12H22O3/c1-11(2)4-3-10(15-11)7-12(8-13)5-6-14-9-12/h10,13H,3-9H2,1-2H3
InChIKeyOPVWQGBSTZMLTR-UHFFFAOYSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol (CID 116525124) is [3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol is CC1(C)CCC(CC2(CO)CCOC2)O1.
What is the InChIKey of [3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol?
The InChIKey is OPVWQGBSTZMLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(2)4-3-10(15-11)7-12(8-13)5-6-14-9-12/h10,13H,3-9H2,1-2H3.
What are the key properties of [3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol?
[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol has a molecular weight of 214.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 116525124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).