6-ethyl-6-methyl-5-methylideneoxan-2-ol

C9H16O2 — CID 15399793

IUPAC6-ethyl-6-methyl-5-methylideneoxan-2-ol
SMILESC=C1CCC(O)OC1(C)CC
InChIInChI=1S/C9H16O2/c1-4-9(3)7(2)5-6-8(10)11-9/h8,10H,2,4-6H2,1,3H3
InChIKeyYIADVVMDDIIFOT-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.84
Rot. Bonds1

About 6-ethyl-6-methyl-5-methylideneoxan-2-ol

6-ethyl-6-methyl-5-methylideneoxan-2-ol (PubChem CID 15399793) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 6-ethyl-6-methyl-5-methylideneoxan-2-ol.

Molecular Properties

Compound Name6-ethyl-6-methyl-5-methylideneoxan-2-ol
PubChem CID15399793
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name6-ethyl-6-methyl-5-methylideneoxan-2-ol
SMILESC=C1CCC(O)OC1(C)CC
InChIInChI=1S/C9H16O2/c1-4-9(3)7(2)5-6-8(10)11-9/h8,10H,2,4-6H2,1,3H3
InChIKeyYIADVVMDDIIFOT-UHFFFAOYSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Ethenyl-3-propan-2-yloxan-2-ol
CID 134288719
(2R,4R,6S)-4-methoxy-4,6-dimethyl-5-methylideneoxan-2-ol
CID 148281978
(2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol
CID 161441050
(3R,4S,5R,6S)-5-methoxy-6-methyl-6-prop-1-en-2-yloxane-2,3,4-triol
CID 163911039
4-[(2R,4S)-2-methoxy-5-methylideneoxan-4-yl]butan-2-ol
CID 10536040
6-Tert-butyl-5-methylideneoxan-2-ol
CID 10678748
2-Ethoxy-5-methylidene-1-oxaspiro[5.5]undecane
CID 10703678
6-Ethyl-5-methylideneoxan-2-ol
CID 10725451
6-Methyl-5-methylidene-6-(4-methylpent-3-enyl)oxan-2-ol
CID 10899887
6-Methyl-5-methylidene-6-(2-methylpropyl)oxan-2-ol
CID 11041413
5-Methylidene-1-oxaspiro[5.5]undecan-2-ol
CID 11769181
2-Ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane
CID 15399794

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methyl-5-methylideneoxan-2-ol?
The IUPAC name of 6-ethyl-6-methyl-5-methylideneoxan-2-ol (CID 15399793) is 6-ethyl-6-methyl-5-methylideneoxan-2-ol.
What is the SMILES notation for 6-ethyl-6-methyl-5-methylideneoxan-2-ol?
The canonical SMILES for 6-ethyl-6-methyl-5-methylideneoxan-2-ol is C=C1CCC(O)OC1(C)CC.
What is the InChIKey of 6-ethyl-6-methyl-5-methylideneoxan-2-ol?
The InChIKey is YIADVVMDDIIFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(3)7(2)5-6-8(10)11-9/h8,10H,2,4-6H2,1,3H3.
What are the key properties of 6-ethyl-6-methyl-5-methylideneoxan-2-ol?
6-ethyl-6-methyl-5-methylideneoxan-2-ol has a molecular weight of 156.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyl-5-methylideneoxan-2-ol is sourced from PubChem (CID 15399793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).