6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol

C11H20O2 — CID 11041413

IUPAC6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol
SMILESC=C1CCC(O)OC1(C)CC(C)C
InChIInChI=1S/C11H20O2/c1-8(2)7-11(4)9(3)5-6-10(12)13-11/h8,10,12H,3,5-7H2,1-2,4H3
InChIKeyBTECXNZQICIFAU-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.48
Rot. Bonds2

About 6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol

6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol (PubChem CID 11041413) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol.

Molecular Properties

Compound Name6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol
PubChem CID11041413
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol
SMILESC=C1CCC(O)OC1(C)CC(C)C
InChIInChI=1S/C11H20O2/c1-8(2)7-11(4)9(3)5-6-10(12)13-11/h8,10,12H,3,5-7H2,1-2,4H3
InChIKeyBTECXNZQICIFAU-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol?
The IUPAC name of 6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol (CID 11041413) is 6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol.
What is the SMILES notation for 6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol?
The canonical SMILES for 6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol is C=C1CCC(O)OC1(C)CC(C)C.
What is the InChIKey of 6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol?
The InChIKey is BTECXNZQICIFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)7-11(4)9(3)5-6-10(12)13-11/h8,10,12H,3,5-7H2,1-2,4H3.
What are the key properties of 6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol?
6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol is sourced from PubChem (CID 11041413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).