(1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol

C12H16O2 — CID 130952422

IUPAC(1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
SMILESCC1=CC(O)[C@@H]2[C@H](C1O)[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C12H16O2/c1-6-4-9(13)10-7-2-3-8(5-7)11(10)12(6)14/h2-4,7-14H,5H2,1H3/t7-,8+,9?,10+,11+,12?/m0/s1
InChIKeyHHZONFSXLDIGSF-WJBUIAPZSA-N
MW192.26 g/mol
LogP1.11
Rot. Bonds

About (1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol

(1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol (PubChem CID 130952422) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol.

Molecular Properties

Compound Name(1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
PubChem CID130952422
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
SMILESCC1=CC(O)[C@@H]2[C@H](C1O)[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C12H16O2/c1-6-4-9(13)10-7-2-3-8(5-7)11(10)12(6)14/h2-4,7-14H,5H2,1H3/t7-,8+,9?,10+,11+,12?/m0/s1
InChIKeyHHZONFSXLDIGSF-WJBUIAPZSA-N
XLogP1.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.11
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

(1S,2R,3R,6S,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
CID 11008764
[(1S,2R,3R,6S,7S,8R)-6-hydroxy-4-methyl-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate
CID 11053576
(1R,2S,3S,6R,7R,8S)-4-benzyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
CID 10989279
(1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 25179994
(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
(1S,2S,3R,4R)-5-methylcyclohex-5-ene-1,2,3,4-tetrol
CID 16749493
tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
CID 521932
(1S,2R,3R,10S,11S,12R)-8-methoxytetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,5,10-triol
CID 10492545
(1S,2R,3S,6R,7S,8R)-tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol;(1S,2R,7S,8R)-tricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 157066704
(1S,2R,4S,5R,6S)-4-hydroxytricyclo[4.2.1.02,5]non-7-en-3-one
CID 98474774
(1R,2S,4R,5S,6R)-4-hydroxytricyclo[4.2.1.02,5]non-7-en-3-one
CID 124764507
(1R,2R,4S,5R,6S)-4-hydroxytricyclo[4.2.1.02,5]non-7-en-3-one
CID 92962461

Frequently Asked Questions

What is the IUPAC name of (1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol?
The IUPAC name of (1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol (CID 130952422) is (1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol.
What is the SMILES notation for (1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol?
The canonical SMILES for (1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol is CC1=CC(O)[C@@H]2[C@H](C1O)[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol?
The InChIKey is HHZONFSXLDIGSF-WJBUIAPZSA-N. The full InChI is InChI=1S/C12H16O2/c1-6-4-9(13)10-7-2-3-8(5-7)11(10)12(6)14/h2-4,7-14H,5H2,1H3/t7-,8+,9?,10+,11+,12?/m0/s1.
What are the key properties of (1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol?
(1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol has a molecular weight of 192.26 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol is sourced from PubChem (CID 130952422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).