6-methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol

C13H22O2 — CID 10899887

IUPAC6-methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol
SMILESC=C1CCC(O)OC1(C)CCC=C(C)C
InChIInChI=1S/C13H22O2/c1-10(2)6-5-9-13(4)11(3)7-8-12(14)15-13/h6,12,14H,3,5,7-9H2,1-2,4H3
InChIKeyPRKMBQWUOQTSGY-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.18
Rot. Bonds3

About 6-methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol

6-methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol (PubChem CID 10899887) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 6-methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol.

Molecular Properties

Compound Name6-methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol
PubChem CID10899887
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name6-methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol
SMILESC=C1CCC(O)OC1(C)CCC=C(C)C
InChIInChI=1S/C13H22O2/c1-10(2)6-5-9-13(4)11(3)7-8-12(14)15-13/h6,12,14H,3,5,7-9H2,1-2,4H3
InChIKeyPRKMBQWUOQTSGY-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.18
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-(4-methylpent-3-enyl)oxan-2-ol?
The IUPAC name of 6-methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol (CID 10899887) is 6-methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol.
What is the SMILES notation for 6-methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol?
The canonical SMILES for 6-methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol is C=C1CCC(O)OC1(C)CCC=C(C)C.
What is the InChIKey of 6-methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol?
The InChIKey is PRKMBQWUOQTSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10(2)6-5-9-13(4)11(3)7-8-12(14)15-13/h6,12,14H,3,5,7-9H2,1-2,4H3.
What are the key properties of 6-methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol?
6-methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 3.18, 3 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-(4-methylpent-3-enyl)oxan-2-ol is sourced from PubChem (CID 10899887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).