(1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol

C13H20O2 — CID 15406232

IUPAC(1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol
SMILESC=C1C[C@H](O)[C@]23CC[C@H](C[C@@]12O)C3(C)C
InChIInChI=1S/C13H20O2/c1-8-6-10(14)12-5-4-9(11(12,2)3)7-13(8,12)15/h9-10,14-15H,1,4-7H2,2-3H3/t9-,10+,12+,13-/m1/s1
InChIKeyYNHLWWOJRNUFMO-RSLMWUCJSA-N
MW208.30 g/mol
LogP1.86
Rot. Bonds

About (1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol

(1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol (PubChem CID 15406232) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol.

Molecular Properties

Compound Name(1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol
PubChem CID15406232
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol
SMILESC=C1C[C@H](O)[C@]23CC[C@H](C[C@@]12O)C3(C)C
InChIInChI=1S/C13H20O2/c1-8-6-10(14)12-5-4-9(11(12,2)3)7-13(8,12)15/h9-10,14-15H,1,4-7H2,2-3H3/t9-,10+,12+,13-/m1/s1
InChIKeyYNHLWWOJRNUFMO-RSLMWUCJSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol with MolForge

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Related Compounds

(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 10721413
(1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid
CID 134995170
formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
CID 174915941
(1R)-1,7,7-trimethyl-2-methylidenebicyclo[2.2.1]heptane
CID 162213995
(1R,2S,4R)-2-[2-[3,5-bis[2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethynyl]phenyl]ethynyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 101336165
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
(1R,2S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecan-2-ol
CID 91752695
4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undecane-9,10-diol
CID 76548710
(1S,2S,4R)-2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 68839967
1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol
CID 20530285

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol?
The IUPAC name of (1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol (CID 15406232) is (1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol.
What is the SMILES notation for (1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol?
The canonical SMILES for (1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol is C=C1C[C@H](O)[C@]23CC[C@H](C[C@@]12O)C3(C)C.
What is the InChIKey of (1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol?
The InChIKey is YNHLWWOJRNUFMO-RSLMWUCJSA-N. The full InChI is InChI=1S/C13H20O2/c1-8-6-10(14)12-5-4-9(11(12,2)3)7-13(8,12)15/h9-10,14-15H,1,4-7H2,2-3H3/t9-,10+,12+,13-/m1/s1.
What are the key properties of (1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol?
(1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol has a molecular weight of 208.30 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,7R)-10,10-dimethyl-4-methylidenetricyclo[5.2.1.01,5]decane-2,5-diol is sourced from PubChem (CID 15406232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).