3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane

C19H34OSi — CID 86071882

IUPAC3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CCCC2CCCC=C12)(C(C)C)C(C)C
InChIInChI=1S/C19H34OSi/c1-14(2)21(15(3)4,16(5)6)20-19-13-9-11-17-10-7-8-12-18(17)19/h12-17H,7-11H2,1-6H3
InChIKeyBBKBHQQHEQMLDW-UHFFFAOYSA-N
MW306.57 g/mol
LogP6.58
Rot. Bonds5

About 3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane

3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane (PubChem CID 86071882) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is 3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
PubChem CID86071882
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Name3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CCCC2CCCC=C12)(C(C)C)C(C)C
InChIInChI=1S/C19H34OSi/c1-14(2)21(15(3)4,16(5)6)20-19-13-9-11-17-10-7-8-12-18(17)19/h12-17H,7-11H2,1-6H3
InChIKeyBBKBHQQHEQMLDW-UHFFFAOYSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-(1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yloxy)silane
CID 10689513
triethyl-[(8-methyl-3,4,5,6-tetrahydro-2H-naphthalen-4a-yl)oxy]silane
CID 10869629
Cyclohexen-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane
CID 74425605
[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909
3,4,4a,5,6,7,8,8a-Octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
CID 134969130
Triethyl-[(5-methyl-1,2,6,7,8,9-hexahydrobenzo[7]annulen-9a-yl)oxy]silane
CID 134979687
tert-butyl-dimethyl-[[(13S)-1,2,6,7,11,12,16,17-octahydrocyclopenta[a]phenanthren-13-yl]oxy]silane
CID 135061333
tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane
CID 138964348
(3-Butylcyclohexen-1-yl)oxy-triethylsilane
CID 15254772
2,3,4,4a,5,6-Hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
CID 86071880
trimethyl-[(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane
CID 14759134
trimethyl-[(1Z)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane
CID 14759135

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane?
The IUPAC name of 3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane (CID 86071882) is 3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane.
What is the SMILES notation for 3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane?
The canonical SMILES for 3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane is CC(C)[Si](OC1=CCCC2CCCC=C12)(C(C)C)C(C)C.
What is the InChIKey of 3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane?
The InChIKey is BBKBHQQHEQMLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34OSi/c1-14(2)21(15(3)4,16(5)6)20-19-13-9-11-17-10-7-8-12-18(17)19/h12-17H,7-11H2,1-6H3.
What are the key properties of 3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane?
3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane has a molecular weight of 306.57 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane is sourced from PubChem (CID 86071882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).