(8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol

C19H34O2Si — CID 5377689

IUPAC(8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol
SMILESCC1(C)C/C(O[Si](C)(C)C(C)(C)C)=C\C2=C(CCC2)C(O)C1
InChIInChI=1S/C19H34O2Si/c1-18(2,3)22(6,7)21-15-11-14-9-8-10-16(14)17(20)13-19(4,5)12-15/h11,17,20H,8-10,12-13H2,1-7H3/b15-11+
InChIKeyFHFSNDKCOWHBIE-RVDMUPIBSA-N
MW322.57 g/mol
LogP5.55
Rot. Bonds2

About (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol

(8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol (PubChem CID 5377689) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol.

Molecular Properties

Compound Name(8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol
PubChem CID5377689
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name(8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol
SMILESCC1(C)C/C(O[Si](C)(C)C(C)(C)C)=C\C2=C(CCC2)C(O)C1
InChIInChI=1S/C19H34O2Si/c1-18(2,3)22(6,7)21-15-11-14-9-8-10-16(14)17(20)13-19(4,5)12-15/h11,17,20H,8-10,12-13H2,1-7H3/b15-11+
InChIKeyFHFSNDKCOWHBIE-RVDMUPIBSA-N
XLogP5.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4aS,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 11426466
3-[(1E,3E,5Z,7E)-9-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,4,4-trimethylcyclohex-2-en-1-ol
CID 15489656
4-[(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-(hydroxymethyl)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-ol
CID 134835026
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]methanol
CID 10541081
(1S,5R)-5-((1S)-3-{[tert-butyl(dimethyl)silyl]oxy}-1-methylpropyl)-2-methyl-2-cyclopenten-1-ol
CID 10731816
(4aS,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4a-(3-hydroxypropyl)-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 11405088
(2E,4E)-5-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpenta-2,4-dien-1-ol
CID 21591419
(2E,4E)-3-methyl-5-(2,6,6-trimethyl-3-trimethylsilyloxycyclohexen-1-yl)penta-2,4-dien-1-ol
CID 21765201
(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-[(1R)-1,2,2-trimethylcyclopentyl]hexa-2,4-dien-1-ol
CID 49787801
(2E,4E,6E,8E)-9-[3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
CID 56851266
(1E,5R,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol
CID 71475274
(1E,5S,7aS)-1-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-7a-methyl-3,5,6,7-tetrahydro-2H-inden-5-ol
CID 71475275

Frequently Asked Questions

What is the IUPAC name of (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol?
The IUPAC name of (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol (CID 5377689) is (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol.
What is the SMILES notation for (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol?
The canonical SMILES for (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol is CC1(C)C/C(O[Si](C)(C)C(C)(C)C)=C\C2=C(CCC2)C(O)C1.
What is the InChIKey of (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol?
The InChIKey is FHFSNDKCOWHBIE-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-18(2,3)22(6,7)21-15-11-14-9-8-10-16(14)17(20)13-19(4,5)12-15/h11,17,20H,8-10,12-13H2,1-7H3/b15-11+.
What are the key properties of (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol?
(8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol has a molecular weight of 322.57 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-1,2,3,4,5,7-hexahydrocyclopenta[8]annulen-4-ol is sourced from PubChem (CID 5377689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).