4,4-dimethyl-2-methylideneoxolan-3-ol

C7H12O2 — CID 89151704

IUPAC4,4-dimethyl-2-methylideneoxolan-3-ol
SMILESC=C1OCC(C)(C)C1O
InChIInChI=1S/C7H12O2/c1-5-6(8)7(2,3)4-9-5/h6,8H,1,4H2,2-3H3
InChIKeyZYYGWLIVQSIYJN-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.92
Rot. Bonds

About 4,4-dimethyl-2-methylideneoxolan-3-ol

4,4-dimethyl-2-methylideneoxolan-3-ol (PubChem CID 89151704) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4,4-dimethyl-2-methylideneoxolan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-methylideneoxolan-3-ol
PubChem CID89151704
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4,4-dimethyl-2-methylideneoxolan-3-ol
SMILESC=C1OCC(C)(C)C1O
InChIInChI=1S/C7H12O2/c1-5-6(8)7(2,3)4-9-5/h6,8H,1,4H2,2-3H3
InChIKeyZYYGWLIVQSIYJN-UHFFFAOYSA-N
XLogP0.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,6-trimethyl-2-methylidene-1,3-dioxepane
CID 169323690
(3R)-3-hydroxy-4,4-bis(trideuteriomethyl)oxolan-2-one
CID 71751460
3-hydroxy-4,4-dimethyl-3,5-dihydro-1,6-benzodioxonine-2,7-dione
CID 54067301
3-hydroxy-5,5-dimethyloxan-2-one
CID 70489948
3-hydroxy-4,4-dimethyloxolan-2-one;(4-methoxyphenyl)methyl hydrogen carbonate
CID 70168376
trans-(1R,2R)-3,3,5,5-tetramethylcyclopentane-1,2-diol
CID 71370676
2,2-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol
CID 154444856
(2S,4S)-4-hydroxy-5,5-dimethyl-2-propyloxan-3-one
CID 130891192
3-amino-4,4-dimethyloxolan-2-one
CID 13247950
3-fluoro-4,4-dimethyloxolan-2-one
CID 102597202
4-ethenyl-5,5-dimethyl-1,3-dioxan-2-one
CID 10986484
4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol
CID 163222163

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-methylideneoxolan-3-ol?
The IUPAC name of 4,4-dimethyl-2-methylideneoxolan-3-ol (CID 89151704) is 4,4-dimethyl-2-methylideneoxolan-3-ol.
What is the SMILES notation for 4,4-dimethyl-2-methylideneoxolan-3-ol?
The canonical SMILES for 4,4-dimethyl-2-methylideneoxolan-3-ol is C=C1OCC(C)(C)C1O.
What is the InChIKey of 4,4-dimethyl-2-methylideneoxolan-3-ol?
The InChIKey is ZYYGWLIVQSIYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-6(8)7(2,3)4-9-5/h6,8H,1,4H2,2-3H3.
What are the key properties of 4,4-dimethyl-2-methylideneoxolan-3-ol?
4,4-dimethyl-2-methylideneoxolan-3-ol has a molecular weight of 128.17 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-methylideneoxolan-3-ol is sourced from PubChem (CID 89151704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).