2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane

C18H34OSi — CID 552428

IUPAC2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane
SMILESCC1CCC=C2CCC(C(C)(C)O[Si](C)(C)C)CC21C
InChIInChI=1S/C18H34OSi/c1-14-9-8-10-15-11-12-16(13-18(14,15)4)17(2,3)19-20(5,6)7/h10,14,16H,8-9,11-13H2,1-7H3
InChIKeyDIHMRUDPDZZQSV-UHFFFAOYSA-N
MW294.56 g/mol
LogP5.78
Rot. Bonds3

About 2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane

2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane (PubChem CID 552428) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is 2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane.

Molecular Properties

Compound Name2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane
PubChem CID552428
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane
SMILESCC1CCC=C2CCC(C(C)(C)O[Si](C)(C)C)CC21C
InChIInChI=1S/C18H34OSi/c1-14-9-8-10-15-11-12-16(13-18(14,15)4)17(2,3)19-20(5,6)7/h10,14,16H,8-9,11-13H2,1-7H3
InChIKeyDIHMRUDPDZZQSV-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.78
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

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[(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
CID 134901464
[(3S,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
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[(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 134922490
tri(propan-2-yl)-[[(1S,3E,7E,11R)-1,4,8-trimethyl-13-bicyclo[9.4.0]pentadeca-3,7,12-trienyl]oxy]silane
CID 134979719
trimethyl-[3-methyl-3-[(E)-3-methyl-6-(4-prop-1-en-2-ylcyclohexen-1-yl)hex-3-enyl]cyclohexen-1-yl]oxysilane
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[3-[2-(Cyclohexen-1-yl)ethyl]-3-methylcyclohexen-1-yl]oxy-trimethylsilane
CID 21593726
(3-Butyl-4,4-dimethylcyclohexen-1-yl)oxy-triethylsilane
CID 101998070
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 11427684
(4a,8,8-Trimethyl-5,6,7,8a-tetrahydronaphthalen-1-yl)oxy-trimethylsilane
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Frequently Asked Questions

What is the IUPAC name of 2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane?
The IUPAC name of 2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane (CID 552428) is 2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane.
What is the SMILES notation for 2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane?
The canonical SMILES for 2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane is CC1CCC=C2CCC(C(C)(C)O[Si](C)(C)C)CC21C.
What is the InChIKey of 2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane?
The InChIKey is DIHMRUDPDZZQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi/c1-14-9-8-10-15-11-12-16(13-18(14,15)4)17(2,3)19-20(5,6)7/h10,14,16H,8-9,11-13H2,1-7H3.
What are the key properties of 2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane?
2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy-trimethylsilane is sourced from PubChem (CID 552428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).