[(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol

C11H16O3 — CID 89195244

IUPAC[(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol
SMILESCCC1=C[C@@]2(CO)C=C[C@@](CO)(C1)O2
InChIInChI=1S/C11H16O3/c1-2-9-5-10(7-12)3-4-11(6-9,8-13)14-10/h3-5,12-13H,2,6-8H2,1H3/t10-,11+/m1/s1
InChIKeySCYFFOSLXPCECC-MNOVXSKESA-N
MW196.25 g/mol
LogP0.78
Rot. Bonds3

About [(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol

[(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol (PubChem CID 89195244) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is [(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol
PubChem CID89195244
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name[(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol
SMILESCCC1=C[C@@]2(CO)C=C[C@@](CO)(C1)O2
InChIInChI=1S/C11H16O3/c1-2-9-5-10(7-12)3-4-11(6-9,8-13)14-10/h3-5,12-13H,2,6-8H2,1H3/t10-,11+/m1/s1
InChIKeySCYFFOSLXPCECC-MNOVXSKESA-N
XLogP0.78
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol with MolForge

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Related Compounds

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(3,7,7-Trimethyl-2,5,6,7-tetrahydrooxepin-2-yl)methanol
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(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol
CID 11708792
(4-Methyl-3,6-dihydro-2H-pyran-2,2-diyl)dimethanol
CID 21679893
(2S,4S)-4-[[(1R,2R,5R)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-en-2-yl]oxy]pentan-2-ol
CID 10998670
(2S,4S)-4-[[(1S,2S,5S)-3-methylidene-8-oxabicyclo[3.2.1]oct-6-en-2-yl]oxy]pentan-2-ol
CID 15265974
(Z,2R)-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]pent-3-en-2-ol
CID 45094981
(3R,4E)-4-heptylidene-2,2-dimethyloxolan-3-ol
CID 101404098
4,7,7-Trimethyl-6-oxabicyclo[3.2.1]oct-3-en-1-ol
CID 129754608

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol?
The IUPAC name of [(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol (CID 89195244) is [(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol.
What is the SMILES notation for [(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol?
The canonical SMILES for [(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol is CCC1=C[C@@]2(CO)C=C[C@@](CO)(C1)O2.
What is the InChIKey of [(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol?
The InChIKey is SCYFFOSLXPCECC-MNOVXSKESA-N. The full InChI is InChI=1S/C11H16O3/c1-2-9-5-10(7-12)3-4-11(6-9,8-13)14-10/h3-5,12-13H,2,6-8H2,1H3/t10-,11+/m1/s1.
What are the key properties of [(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol?
[(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol has a molecular weight of 196.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-3-ethyl-5-(hydroxymethyl)-8-oxabicyclo[3.2.1]octa-3,6-dien-1-yl]methanol is sourced from PubChem (CID 89195244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).