(1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol

C15H26O2 — CID 6558363

IUPAC(1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
SMILESCC1(C)C[C@@H](O)[C@]23CC[C@@H](O)[C@](C)(CC[C@@H]12)C3
InChIInChI=1S/C15H26O2/c1-13(2)8-12(17)15-7-5-11(16)14(3,9-15)6-4-10(13)15/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12+,14+,15-/m0/s1
InChIKeyBWXJQHJHGMZLBT-PRSHDEELSA-N
MW238.37 g/mol
LogP2.72
Rot. Bonds

About (1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol

(1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol (PubChem CID 6558363) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol.

Molecular Properties

Compound Name(1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
PubChem CID6558363
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
SMILESCC1(C)C[C@@H](O)[C@]23CC[C@@H](O)[C@](C)(CC[C@@H]12)C3
InChIInChI=1S/C15H26O2/c1-13(2)8-12(17)15-7-5-11(16)14(3,9-15)6-4-10(13)15/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12+,14+,15-/m0/s1
InChIKeyBWXJQHJHGMZLBT-PRSHDEELSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol with MolForge

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Related Compounds

(1R,2S,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
CID 162902598
(1S,2R,5R,8R,9S)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
CID 162902597
(1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol
CID 44584079
(1R,2S,5R)-1,4,4-trimethylbicyclo[3.2.0]heptan-2-ol
CID 130857685
(1R,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol
CID 68953637
2-[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol
CID 14734062
(1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid
CID 131115230
(6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol
CID 78426246
(1S,6S,9R,10R)-5,5,9-trimethyltricyclo[7.1.1.01,6]undecane-10-carbaldehyde
CID 162898555
(1R,4S,5R,9S,13S)-14-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 122164555
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
(1S,4R,9R,10S,13S,14R,16S)-5,5,9,13-tetramethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecane
CID 163016119

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol?
The IUPAC name of (1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol (CID 6558363) is (1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol.
What is the SMILES notation for (1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol?
The canonical SMILES for (1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol is CC1(C)C[C@@H](O)[C@]23CC[C@@H](O)[C@](C)(CC[C@@H]12)C3.
What is the InChIKey of (1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol?
The InChIKey is BWXJQHJHGMZLBT-PRSHDEELSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2)8-12(17)15-7-5-11(16)14(3,9-15)6-4-10(13)15/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12+,14+,15-/m0/s1.
What are the key properties of (1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol?
(1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol has a molecular weight of 238.37 g/mol, XLogP of 2.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol is sourced from PubChem (CID 6558363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).