(1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol

C8H10O2 — CID 146049529

IUPAC(1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol
SMILESOC1C[C@@H]2[C@H]1[C@H]1C=C[C@@H]2O1
InChIInChI=1S/C8H10O2/c9-5-3-4-6-1-2-7(10-6)8(4)5/h1-2,4-9H,3H2/t4-,5?,6-,7+,8+/m0/s1
InChIKeyWMSJCPJKJROARM-XFTZRPCESA-N
MW138.17 g/mol
LogP0.32
Rot. Bonds

About (1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol

(1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol (PubChem CID 146049529) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol.

Molecular Properties

Compound Name(1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol
PubChem CID146049529
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol
SMILESOC1C[C@@H]2[C@H]1[C@H]1C=C[C@@H]2O1
InChIInChI=1S/C8H10O2/c9-5-3-4-6-1-2-7(10-6)8(4)5/h1-2,4-9H,3H2/t4-,5?,6-,7+,8+/m0/s1
InChIKeyWMSJCPJKJROARM-XFTZRPCESA-N
XLogP0.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol
CID 13388579
(4R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 130349286
(1R,2S,6R,7S)-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene
CID 10329483
(1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol
CID 124792530
1-[(1S,3aR,4S,7R,7aS)-2-methyl-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindol-1-yl]ethanone
CID 174169304
(1R,2R,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-ene
CID 46217809
(1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol
CID 98083944
(1R,2S,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-one
CID 130834071
(1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol
CID 98503863
(2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol
CID 95565725
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
(1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol
CID 98556285

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol?
The IUPAC name of (1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol (CID 146049529) is (1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol.
What is the SMILES notation for (1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol?
The canonical SMILES for (1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol is OC1C[C@@H]2[C@H]1[C@H]1C=C[C@@H]2O1.
What is the InChIKey of (1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol?
The InChIKey is WMSJCPJKJROARM-XFTZRPCESA-N. The full InChI is InChI=1S/C8H10O2/c9-5-3-4-6-1-2-7(10-6)8(4)5/h1-2,4-9H,3H2/t4-,5?,6-,7+,8+/m0/s1.
What are the key properties of (1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol?
(1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol has a molecular weight of 138.17 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6S)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol is sourced from PubChem (CID 146049529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).