(1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol

C16H28O2 — CID 44584079

IUPAC(1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol
SMILESCO[C@H]1CC(C)(C)[C@@H]2CC[C@@]3(C)C[C@]12CC[C@H]3O
InChIInChI=1S/C16H28O2/c1-14(2)9-13(18-4)16-8-6-12(17)15(3,10-16)7-5-11(14)16/h11-13,17H,5-10H2,1-4H3/t11-,12+,13-,15-,16-/m0/s1
InChIKeyCINURJJDMOKVMD-AKIOZOGOSA-N
MW252.40 g/mol
LogP3.38
Rot. Bonds1

About (1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol

(1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol (PubChem CID 44584079) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol.

Molecular Properties

Compound Name(1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol
PubChem CID44584079
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol
SMILESCO[C@H]1CC(C)(C)[C@@H]2CC[C@@]3(C)C[C@]12CC[C@H]3O
InChIInChI=1S/C16H28O2/c1-14(2)9-13(18-4)16-8-6-12(17)15(3,10-16)7-5-11(14)16/h11-13,17H,5-10H2,1-4H3/t11-,12+,13-,15-,16-/m0/s1
InChIKeyCINURJJDMOKVMD-AKIOZOGOSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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,2R,5S,8R,9R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diol
CID 6558363
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,7S,8S)-6,6-dimethyl-3-oxatetracyclo[5.4.2.11,8.04,8]tetradecan-11-ol
CID 68953637
(1R,2S,5R)-1,4,4-trimethylbicyclo[3.2.0]heptan-2-ol
CID 130857685
[(1S,2S,5S,8R,9R)-2-[2-(2-acetyloxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4,4,8-trimethyl-9-tricyclo[6.3.1.01,5]dodecanyl] acetate
CID 14734064
2-methoxy-1,1-dimethylcyclobutane
CID 58806257
(1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid
CID 131115230
2,2,4-trimethoxy-5,5-dimethylcyclohexan-1-ol
CID 164668290
[(1R,2R,4aS)-2-methoxy-1,4a-dimethylspiro[3,4,5,7,8,8a-hexahydro-2H-naphthalene-6,2'-oxirane]-1-yl]methanol
CID 145337277
(6S)-6-methylbicyclo[4.3.1]dec-2-ene-1,7-diol
CID 78426246

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol?
The IUPAC name of (1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol (CID 44584079) is (1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol.
What is the SMILES notation for (1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol?
The canonical SMILES for (1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol is CO[C@H]1CC(C)(C)[C@@H]2CC[C@@]3(C)C[C@]12CC[C@H]3O.
What is the InChIKey of (1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol?
The InChIKey is CINURJJDMOKVMD-AKIOZOGOSA-N. The full InChI is InChI=1S/C16H28O2/c1-14(2)9-13(18-4)16-8-6-12(17)15(3,10-16)7-5-11(14)16/h11-13,17H,5-10H2,1-4H3/t11-,12+,13-,15-,16-/m0/s1.
What are the key properties of (1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol?
(1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol has a molecular weight of 252.40 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S,8S,9R)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol is sourced from PubChem (CID 44584079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).