(1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol

C13H20OSi — CID 25179994

IUPAC(1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
SMILESC[Si](C)(C)C1=C[C@H]2[C@H]([C@@H]3C=C[C@H]2C3)[C@@H]1O
InChIInChI=1S/C13H20OSi/c1-15(2,3)11-7-10-8-4-5-9(6-8)12(10)13(11)14/h4-5,7-10,12-14H,6H2,1-3H3/t8-,9+,10+,12-,13+/m0/s1
InChIKeyKPZALKPUULDLRI-YQPPGCHHSA-N
MW220.39 g/mol
LogP2.60
Rot. Bonds1

About (1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol

(1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol (PubChem CID 25179994) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is (1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol.

Molecular Properties

Compound Name(1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
PubChem CID25179994
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name(1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
SMILESC[Si](C)(C)C1=C[C@H]2[C@H]([C@@H]3C=C[C@H]2C3)[C@@H]1O
InChIInChI=1S/C13H20OSi/c1-15(2,3)11-7-10-8-4-5-9(6-8)12(10)13(11)14/h4-5,7-10,12-14H,6H2,1-3H3/t8-,9+,10+,12-,13+/m0/s1
InChIKeyKPZALKPUULDLRI-YQPPGCHHSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,3S,6R,7S)-4-undecyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 101071845
(1R,2S,3R,6S,7S)-4-nonyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 51015582
(1S,2R,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
CID 130952422
(1S,2R,3R,6S,7S,8R)-4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
CID 11008764
trimethyl-[(1S,2S,3R,4R,5R,6R)-4-trimethylsilyl-3-tricyclo[4.2.1.02,5]non-7-enyl]silane
CID 101474513
tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
CID 521932
(1R,2S,3S,6R,7R,8S)-4-benzyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
CID 10989279
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(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,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

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol?
The IUPAC name of (1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol (CID 25179994) is (1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol.
What is the SMILES notation for (1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol?
The canonical SMILES for (1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol is C[Si](C)(C)C1=C[C@H]2[C@H]([C@@H]3C=C[C@H]2C3)[C@@H]1O.
What is the InChIKey of (1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol?
The InChIKey is KPZALKPUULDLRI-YQPPGCHHSA-N. The full InChI is InChI=1S/C13H20OSi/c1-15(2,3)11-7-10-8-4-5-9(6-8)12(10)13(11)14/h4-5,7-10,12-14H,6H2,1-3H3/t8-,9+,10+,12-,13+/m0/s1.
What are the key properties of (1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol?
(1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol has a molecular weight of 220.39 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,6R,7R)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol is sourced from PubChem (CID 25179994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).