2,2-dimethyloxolan-3-ol

C6H12O2 — CID 13327310

IUPAC2,2-dimethyloxolan-3-ol
SMILESCC1(C)OCCC1O
InChIInChI=1S/C6H12O2/c1-6(2)5(7)3-4-8-6/h5,7H,3-4H2,1-2H3
InChIKeyPBVVKKCMOMDGNB-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds

About 2,2-dimethyloxolan-3-ol

2,2-dimethyloxolan-3-ol (PubChem CID 13327310) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2,2-dimethyloxolan-3-ol.

Molecular Properties

Compound Name2,2-dimethyloxolan-3-ol
PubChem CID13327310
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2,2-dimethyloxolan-3-ol
SMILESCC1(C)OCCC1O
InChIInChI=1S/C6H12O2/c1-6(2)5(7)3-4-8-6/h5,7H,3-4H2,1-2H3
InChIKeyPBVVKKCMOMDGNB-UHFFFAOYSA-N
XLogP0.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloxolan-3-ol?
The IUPAC name of 2,2-dimethyloxolan-3-ol (CID 13327310) is 2,2-dimethyloxolan-3-ol.
What is the SMILES notation for 2,2-dimethyloxolan-3-ol?
The canonical SMILES for 2,2-dimethyloxolan-3-ol is CC1(C)OCCC1O.
What is the InChIKey of 2,2-dimethyloxolan-3-ol?
The InChIKey is PBVVKKCMOMDGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2)5(7)3-4-8-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyloxolan-3-ol?
2,2-dimethyloxolan-3-ol has a molecular weight of 116.16 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloxolan-3-ol is sourced from PubChem (CID 13327310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).