(3,3-dimethyloxetan-2-yl)methanol

C6H12O2 — CID 56834265

IUPAC(3,3-dimethyloxetan-2-yl)methanol
SMILESCC1(C)COC1CO
InChIInChI=1S/C6H12O2/c1-6(2)4-8-5(6)3-7/h5,7H,3-4H2,1-2H3
InChIKeyRRGZEWCTGRLQTQ-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.40
Rot. Bonds1

About (3,3-dimethyloxetan-2-yl)methanol

(3,3-dimethyloxetan-2-yl)methanol (PubChem CID 56834265) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (3,3-dimethyloxetan-2-yl)methanol.

Molecular Properties

Compound Name(3,3-dimethyloxetan-2-yl)methanol
PubChem CID56834265
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(3,3-dimethyloxetan-2-yl)methanol
SMILESCC1(C)COC1CO
InChIInChI=1S/C6H12O2/c1-6(2)4-8-5(6)3-7/h5,7H,3-4H2,1-2H3
InChIKeyRRGZEWCTGRLQTQ-UHFFFAOYSA-N
XLogP0.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyloxetan-2-yl)methanol?
The IUPAC name of (3,3-dimethyloxetan-2-yl)methanol (CID 56834265) is (3,3-dimethyloxetan-2-yl)methanol.
What is the SMILES notation for (3,3-dimethyloxetan-2-yl)methanol?
The canonical SMILES for (3,3-dimethyloxetan-2-yl)methanol is CC1(C)COC1CO.
What is the InChIKey of (3,3-dimethyloxetan-2-yl)methanol?
The InChIKey is RRGZEWCTGRLQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2)4-8-5(6)3-7/h5,7H,3-4H2,1-2H3.
What are the key properties of (3,3-dimethyloxetan-2-yl)methanol?
(3,3-dimethyloxetan-2-yl)methanol has a molecular weight of 116.16 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyloxetan-2-yl)methanol is sourced from PubChem (CID 56834265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).