[8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol

C22H40O2Si — CID 54235741

IUPAC[8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol
SMILESCC=CC1(C)CC(O[Si](C)(C)C(C)(C)C)=C2C(CCC(C)C2CO)C1
InChIInChI=1S/C22H40O2Si/c1-9-12-22(6)13-17-11-10-16(2)18(15-23)20(17)19(14-22)24-25(7,8)21(3,4)5/h9,12,16-18,23H,10-11,13-15H2,1-8H3
InChIKeyQMKYHUPKDFHZGD-UHFFFAOYSA-N
MW364.65 g/mol
LogP6.29
Rot. Bonds4

About [8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol

[8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol (PubChem CID 54235741) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is [8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol
PubChem CID54235741
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Name[8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol
SMILESCC=CC1(C)CC(O[Si](C)(C)C(C)(C)C)=C2C(CCC(C)C2CO)C1
InChIInChI=1S/C22H40O2Si/c1-9-12-22(6)13-17-11-10-16(2)18(15-23)20(17)19(14-22)24-25(7,8)21(3,4)5/h9,12,16-18,23H,10-11,13-15H2,1-8H3
InChIKeyQMKYHUPKDFHZGD-UHFFFAOYSA-N
XLogP6.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol?
The IUPAC name of [8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol (CID 54235741) is [8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol.
What is the SMILES notation for [8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol?
The canonical SMILES for [8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol is CC=CC1(C)CC(O[Si](C)(C)C(C)(C)C)=C2C(CCC(C)C2CO)C1.
What is the InChIKey of [8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol?
The InChIKey is QMKYHUPKDFHZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-9-12-22(6)13-17-11-10-16(2)18(15-23)20(17)19(14-22)24-25(7,8)21(3,4)5/h9,12,16-18,23H,10-11,13-15H2,1-8H3.
What are the key properties of [8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol?
[8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol has a molecular weight of 364.65 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-6-prop-1-enyl-2,3,4,4a,5,7-hexahydro-1H-naphthalen-1-yl]methanol is sourced from PubChem (CID 54235741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).