[(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol

C11H18O2 — CID 7075873

IUPAC[(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
SMILESCC1=CC[C@@]2(CO)CO[C@H](C)[C@@H]1C2
InChIInChI=1S/C11H18O2/c1-8-3-4-11(6-12)5-10(8)9(2)13-7-11/h3,9-10,12H,4-7H2,1-2H3/t9-,10-,11-/m1/s1
InChIKeySQPNHVABJLLNRG-GMTAPVOTSA-N
MW182.26 g/mol
LogP1.74
Rot. Bonds1

About [(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol

[(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol (PubChem CID 7075873) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
PubChem CID7075873
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
SMILESCC1=CC[C@@]2(CO)CO[C@H](C)[C@@H]1C2
InChIInChI=1S/C11H18O2/c1-8-3-4-11(6-12)5-10(8)9(2)13-7-11/h3,9-10,12H,4-7H2,1-2H3/t9-,10-,11-/m1/s1
InChIKeySQPNHVABJLLNRG-GMTAPVOTSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.74
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

1-[3-[(1R,2S,5R)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]indol-1-yl]ethanone
CID 44521789
[(1R,4S,5R)-6-methyl-4-propan-2-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl acetate
CID 6985643
[(1S,4S,5S)-6-methyl-4-propan-2-yl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl acetate
CID 98221319
[(1S,4S,5S,8R)-4,6,8-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl acetate
CID 6542382
[(1R,4R,5S,8R,9S)-4,6,8,9-tetramethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
CID 98134297
[(1S,4S,5R)-4-(4-acetyloxyphenyl)-6-methyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl acetate
CID 6543252
(4S,6S)-4-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-6-ol
CID 134970585
(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 58502500
2-oxabicyclo[2.2.2]octan-4-ylmethanol
CID 135392871
ethyl (E)-5-[4-(3-fluoro-4-hydroxyphenyl)-1-(hydroxymethyl)-3-oxabicyclo[3.3.1]non-6-en-6-yl]pent-2-enoate
CID 156644400
(4-butyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methanol
CID 4518414
[(1S,4S,5S,8R,9S)-4-hexyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol
CID 6575134

Frequently Asked Questions

What is the IUPAC name of [(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol?
The IUPAC name of [(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol (CID 7075873) is [(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol.
What is the SMILES notation for [(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol?
The canonical SMILES for [(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol is CC1=CC[C@@]2(CO)CO[C@H](C)[C@@H]1C2.
What is the InChIKey of [(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol?
The InChIKey is SQPNHVABJLLNRG-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-3-4-11(6-12)5-10(8)9(2)13-7-11/h3,9-10,12H,4-7H2,1-2H3/t9-,10-,11-/m1/s1.
What are the key properties of [(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol?
[(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol has a molecular weight of 182.26 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R,5R)-4,6-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methanol is sourced from PubChem (CID 7075873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).