6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one

C20H34O2Si — CID 135049494

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one
SMILESCC(C)=C1CC2(C)C(=O)CCCC2C=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O2Si/c1-14(2)16-13-20(6)15(10-9-11-18(20)21)12-17(16)22-23(7,8)19(3,4)5/h12,15H,9-11,13H2,1-8H3
InChIKeyNLYWFUCOLDEBLH-UHFFFAOYSA-N
MW334.58 g/mol
LogP6.01
Rot. Bonds2

About 6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one

6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one (PubChem CID 135049494) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one
PubChem CID135049494
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one
SMILESCC(C)=C1CC2(C)C(=O)CCCC2C=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O2Si/c1-14(2)16-13-20(6)15(10-9-11-18(20)21)12-17(16)22-23(7,8)19(3,4)5/h12,15H,9-11,13H2,1-8H3
InChIKeyNLYWFUCOLDEBLH-UHFFFAOYSA-N
XLogP6.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one (CID 135049494) is 6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one is CC(C)=C1CC2(C)C(=O)CCCC2C=C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one?
The InChIKey is NLYWFUCOLDEBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-14(2)16-13-20(6)15(10-9-11-18(20)21)12-17(16)22-23(7,8)19(3,4)5/h12,15H,9-11,13H2,1-8H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one?
6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one has a molecular weight of 334.58 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-8a-methyl-7-propan-2-ylidene-3,4,4a,8-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 135049494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).