(2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol

C10H14O2 — CID 95565725

IUPAC(2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol
SMILESO[C@@H]1C[C@H]2C=C[C@H]3C[C@H](O)C1C23
InChIInChI=1S/C10H14O2/c11-7-3-5-1-2-6-4-8(12)10(7)9(5)6/h1-2,5-12H,3-4H2/t5-,6+,7-,8+,9?,10?
InChIKeyKMEWXMMVQQNLKQ-QGPWORDESA-N
MW166.22 g/mol
LogP0.55
Rot. Bonds

About (2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol

(2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol (PubChem CID 95565725) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol.

Molecular Properties

Compound Name(2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol
PubChem CID95565725
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol
SMILESO[C@@H]1C[C@H]2C=C[C@H]3C[C@H](O)C1C23
InChIInChI=1S/C10H14O2/c11-7-3-5-1-2-6-4-8(12)10(7)9(5)6/h1-2,5-12H,3-4H2/t5-,6+,7-,8+,9?,10?
InChIKeyKMEWXMMVQQNLKQ-QGPWORDESA-N
XLogP0.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
CID 521932
hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene
CID 100957910
hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-ene-4,5-diol
CID 139797029
(1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol
CID 131089287
1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol
CID 130125975
(1R,2S,3R,10R,11R,12S)-tetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-diol
CID 100934391
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
(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
(1S,2R,4S,5R,6S)-4-hydroxytricyclo[4.2.1.02,5]non-7-en-3-one
CID 98474774
(1R,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
CID 11147824
4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
CID 550026

Frequently Asked Questions

What is the IUPAC name of (2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol?
The IUPAC name of (2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol (CID 95565725) is (2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol.
What is the SMILES notation for (2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol?
The canonical SMILES for (2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol is O[C@@H]1C[C@H]2C=C[C@H]3C[C@H](O)C1C23.
What is the InChIKey of (2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol?
The InChIKey is KMEWXMMVQQNLKQ-QGPWORDESA-N. The full InChI is InChI=1S/C10H14O2/c11-7-3-5-1-2-6-4-8(12)10(7)9(5)6/h1-2,5-12H,3-4H2/t5-,6+,7-,8+,9?,10?.
What are the key properties of (2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol?
(2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol has a molecular weight of 166.22 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol is sourced from PubChem (CID 95565725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).