tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane

C23H42OSi — CID 10338712

IUPACtert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane
SMILESC=C1CC[C@]23CC[C@H](C(C)C)[C@@]2(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]13C
InChIInChI=1S/C23H42OSi/c1-16(2)18-12-14-23-13-11-17(3)22(23,8)19(15-21(18,23)7)24-25(9,10)20(4,5)6/h16,18-19H,3,11-15H2,1-2,4-10H3/t18-,19+,21-,22+,23+/m1/s1
InChIKeyABLGLNFUHTUWQC-FUOIXIIKSA-N
MW362.67 g/mol
LogP7.20
Rot. Bonds3

About tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane

tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane (PubChem CID 10338712) has the molecular formula C23H42OSi and a molecular weight of 362.67 g/mol. Its IUPAC name is tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane
PubChem CID10338712
Molecular FormulaC23H42OSi
Molecular Weight362.67 g/mol
Exact Mass362.30
IUPAC Nametert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane
SMILESC=C1CC[C@]23CC[C@H](C(C)C)[C@@]2(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]13C
InChIInChI=1S/C23H42OSi/c1-16(2)18-12-14-23-13-11-17(3)22(23,8)19(15-21(18,23)7)24-25(9,10)20(4,5)6/h16,18-19H,3,11-15H2,1-2,4-10H3/t18-,19+,21-,22+,23+/m1/s1
InChIKeyABLGLNFUHTUWQC-FUOIXIIKSA-N
XLogP7.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.67
LogP ≤ 57.20
H-Bond Donors ≤ 50
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

[(3aR,3bR,6aR,7aR)-4,4,6a-trimethyl-2,3,3a,3b,5,6,7,7a-octahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane
CID 138982785
tert-butyldimethyl(((3aR,4R,6aS)-1,1,4-trimethyltetrahydro-1H,4H-3a,6a-propanopentalen-2-yl)oxy)silane
CID 162786793
tert-butyl-dimethyl-[[(1R,2R,6S)-6,9,9-trimethyl-8-methylidene-2-bicyclo[4.2.1]nonanyl]oxy]silane
CID 10335466
tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane
CID 59678391
[(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane
CID 10989996
tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane
CID 11119908
(3a,5,5-trimethyl-2,3,4,6,7,7a-hexahydro-1H-cyclopenta[a]pentalen-3-yl)oxy-tert-butyl-dimethylsilane
CID 13829777
[(3aS,7aS)-3a,5,5-trimethyl-2,3,4,6,7,7a-hexahydro-1H-cyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane
CID 13829778
[(3aR,7aS)-5,5,7a-trimethyl-2,3,3a,4,6,7-hexahydro-1H-cyclopenta[a]pentalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 13829780
[(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane
CID 15519993
[(3R,3aS,7aS)-5,5-dimethyl-1,2,3,3a,4,6,7,7a-octahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane
CID 21582317
tert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane
CID 23649491

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane (CID 10338712) is tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane is C=C1CC[C@]23CC[C@H](C(C)C)[C@@]2(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]13C.
What is the InChIKey of tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane?
The InChIKey is ABLGLNFUHTUWQC-FUOIXIIKSA-N. The full InChI is InChI=1S/C23H42OSi/c1-16(2)18-12-14-23-13-11-17(3)22(23,8)19(15-21(18,23)7)24-25(9,10)20(4,5)6/h16,18-19H,3,11-15H2,1-2,4-10H3/t18-,19+,21-,22+,23+/m1/s1.
What are the key properties of tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane?
tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane has a molecular weight of 362.67 g/mol, XLogP of 7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane is sourced from PubChem (CID 10338712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).