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

C19H34OSi — CID 86071880

IUPAC2,3,4,4a,5,6-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=C2C=CCCC2CCC1)(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/h8,12,14-17H,7,9-11,13H2,1-6H3
InChIKeyMPLBCGUIIBLKIA-UHFFFAOYSA-N
MW306.57 g/mol
LogP6.58
Rot. Bonds5

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

2,3,4,4a,5,6-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane (PubChem CID 86071880) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is 2,3,4,4a,5,6-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2,3,4,4a,5,6-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
PubChem CID86071880
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Name2,3,4,4a,5,6-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1=C2C=CCCC2CCC1)(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/h8,12,14-17H,7,9-11,13H2,1-6H3
InChIKeyMPLBCGUIIBLKIA-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

Trimethyl-[3-(3-methylbut-3-enyl)cyclohexen-1-yl]oxysilane
CID 10490148
Trimethyl-[3-(4-methylpent-3-enyl)cyclohexen-1-yl]oxysilane
CID 10658496
(3-But-3-enylcyclohexen-1-yl)oxy-trimethylsilane
CID 11042390
[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
CID 11244074
Tert-butyl-dimethyl-(3-prop-2-enylcyclohexen-1-yl)oxysilane
CID 15691232
(S)-Trimethyl{{3-methyl-3-[4-methyl-3-(prop-1-en-2-yl)pent-3-en-1-yl]cyclohex-1-en-1-yl}oxy}silane
CID 53389290
3,4,4a,5,6,7,8,8a-Octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
CID 134969130
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
tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane
CID 138964348
(3-But-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane
CID 10706895
[3-[2-(Cyclohexen-1-yl)ethyl]cyclohexen-1-yl]oxy-trimethylsilane
CID 10826486
(3-Butylcyclohexen-1-yl)oxy-triethylsilane
CID 15254772

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane?
The IUPAC name of 2,3,4,4a,5,6-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane (CID 86071880) is 2,3,4,4a,5,6-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane.
What is the SMILES notation for 2,3,4,4a,5,6-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane?
The canonical SMILES for 2,3,4,4a,5,6-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane is CC(C)[Si](OC1=C2C=CCCC2CCC1)(C(C)C)C(C)C.
What is the InChIKey of 2,3,4,4a,5,6-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane?
The InChIKey is MPLBCGUIIBLKIA-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/h8,12,14-17H,7,9-11,13H2,1-6H3.
What are the key properties of 2,3,4,4a,5,6-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane?
2,3,4,4a,5,6-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 2,3,4,4a,5,6-hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane is sourced from PubChem (CID 86071880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).