[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol

C10H14O2 — CID 11171173

IUPAC[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol
SMILESC[C@H]1[C@@H](CO)[C@@H]2C=CC=C[C@H]1O2
InChIInChI=1S/C10H14O2/c1-7-8(6-11)10-5-3-2-4-9(7)12-10/h2-5,7-11H,6H2,1H3/t7-,8+,9+,10-/m0/s1
InChIKeyITPYJWMYYISAPJ-JLIMGVALSA-N
MW166.22 g/mol
LogP1.12
Rot. Bonds1

About [(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol

[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol (PubChem CID 11171173) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is [(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol.

Molecular Properties

Compound Name[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol
PubChem CID11171173
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol
SMILESC[C@H]1[C@@H](CO)[C@@H]2C=CC=C[C@H]1O2
InChIInChI=1S/C10H14O2/c1-7-8(6-11)10-5-3-2-4-9(7)12-10/h2-5,7-11H,6H2,1H3/t7-,8+,9+,10-/m0/s1
InChIKeyITPYJWMYYISAPJ-JLIMGVALSA-N
XLogP1.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol with MolForge

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Related Compounds

[3-(Hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 494715
[(1S,2S,3R,4R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 10241040
7-Oxabicyclo[2.2.1]hept-5-en-2-ylmethanol
CID 265092
[(1R,2R,3R,4S)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 12042021
[(1S,2S,4S)-1-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 101628988
[(2R,3S)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 90662643
[(3R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 363795
(3-Ethenyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol
CID 130147801
[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 11263530
3,6-Epoxy-4-hydroxymethyl-5-(1-hydroxy-1-methylethyl)-1-cyclohexene
CID 12515808
[3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 20287655
(3-Ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol
CID 22618953

Frequently Asked Questions

What is the IUPAC name of [(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol?
The IUPAC name of [(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol (CID 11171173) is [(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol.
What is the SMILES notation for [(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol?
The canonical SMILES for [(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol is C[C@H]1[C@@H](CO)[C@@H]2C=CC=C[C@H]1O2.
What is the InChIKey of [(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol?
The InChIKey is ITPYJWMYYISAPJ-JLIMGVALSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-8(6-11)10-5-3-2-4-9(7)12-10/h2-5,7-11H,6H2,1H3/t7-,8+,9+,10-/m0/s1.
What are the key properties of [(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol?
[(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol has a molecular weight of 166.22 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methanol is sourced from PubChem (CID 11171173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).