[(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane

C19H36OSi — CID 101467150

IUPAC[(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)C[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CC/C=C\[C@@H]2C1
InChIInChI=1S/C19H36OSi/c1-18(2,3)21(6,7)20-17-11-9-8-10-15-13-19(4,5)14-16(15)12-17/h8,10,15-17H,9,11-14H2,1-7H3/b10-8-/t15-,16+,17+/m1/s1
InChIKeyUQIFDDLXRYKDLK-UQLZKREUSA-N
MW308.58 g/mol
LogP6.17
Rot. Bonds2

About [(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane

[(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 101467150) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is [(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID101467150
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name[(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)C[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CC/C=C\[C@@H]2C1
InChIInChI=1S/C19H36OSi/c1-18(2,3)21(6,7)20-17-11-9-8-10-15-13-19(4,5)14-16(15)12-17/h8,10,15-17H,9,11-14H2,1-7H3/b10-8-/t15-,16+,17+/m1/s1
InChIKeyUQIFDDLXRYKDLK-UQLZKREUSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.17
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'}

Analyze [(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane
CID 14608166
(3a,4-Dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane
CID 134849881
[(1R)-1-but-3-enyl-5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135015332
[(1R)-1-but-3-enyl-5,5-dimethyl-1,2,3,3a,4,6-hexahydropentalen-6a-id-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135015486
[(1S,2R,5S)-2-methyl-5-prop-1-en-2-yl-2-prop-2-enylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020085
[(1R,2R,5R)-2-methyl-5-prop-1-en-2-yl-2-prop-2-enylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020086
[(1R,3aE,6Z,9aR)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,5,8,9,9a-hexahydrocyclopenta[8]annulen-4-yl]-trimethylsilane
CID 135031663
[(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane
CID 135031986
[(1S,3aR,4R,5S,7aS)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-propan-2-yl-1,2,3,3a,4,5-hexahydroinden-4-yl]methoxy-tert-butyl-dimethylsilane
CID 135036073
tert-butyl-dimethyl-[4-[(1R)-1-methylcyclopent-2-en-1-yl]butoxy]silane
CID 139263605
CID 178270072
CID 178270072

Frequently Asked Questions

What is the IUPAC name of [(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane (CID 101467150) is [(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane is CC1(C)C[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CC/C=C\[C@@H]2C1.
What is the InChIKey of [(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is UQIFDDLXRYKDLK-UQLZKREUSA-N. The full InChI is InChI=1S/C19H36OSi/c1-18(2,3)21(6,7)20-17-11-9-8-10-15-13-19(4,5)14-16(15)12-17/h8,10,15-17H,9,11-14H2,1-7H3/b10-8-/t15-,16+,17+/m1/s1.
What are the key properties of [(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane?
[(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 308.58 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5S,8Z,9aR)-2,2-dimethyl-1,3,3a,4,5,6,7,9a-octahydrocyclopenta[8]annulen-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101467150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).