3-methyl-6-methylideneoxan-2-ol

C7H12O2 — CID 59696806

IUPAC3-methyl-6-methylideneoxan-2-ol
SMILESC=C1CCC(C)C(O)O1
InChIInChI=1S/C7H12O2/c1-5-3-4-6(2)9-7(5)8/h5,7-8H,2-4H2,1H3
InChIKeyMNYLQKLCBSHRNY-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.26
Rot. Bonds

About 3-methyl-6-methylideneoxan-2-ol

3-methyl-6-methylideneoxan-2-ol (PubChem CID 59696806) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-methyl-6-methylideneoxan-2-ol.

Molecular Properties

Compound Name3-methyl-6-methylideneoxan-2-ol
PubChem CID59696806
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-methyl-6-methylideneoxan-2-ol
SMILESC=C1CCC(C)C(O)O1
InChIInChI=1S/C7H12O2/c1-5-3-4-6(2)9-7(5)8/h5,7-8H,2-4H2,1H3
InChIKeyMNYLQKLCBSHRNY-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylideneoxan-2-ol?
The IUPAC name of 3-methyl-6-methylideneoxan-2-ol (CID 59696806) is 3-methyl-6-methylideneoxan-2-ol.
What is the SMILES notation for 3-methyl-6-methylideneoxan-2-ol?
The canonical SMILES for 3-methyl-6-methylideneoxan-2-ol is C=C1CCC(C)C(O)O1.
What is the InChIKey of 3-methyl-6-methylideneoxan-2-ol?
The InChIKey is MNYLQKLCBSHRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-3-4-6(2)9-7(5)8/h5,7-8H,2-4H2,1H3.
What are the key properties of 3-methyl-6-methylideneoxan-2-ol?
3-methyl-6-methylideneoxan-2-ol has a molecular weight of 128.17 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylideneoxan-2-ol is sourced from PubChem (CID 59696806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).