2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane

C25H48OSi — CID 11036625

IUPAC2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane
SMILESCC1=CCC[C@@H]2[C@@](C)(CCO[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CC[C@@]12C
InChIInChI=1S/C25H48OSi/c1-18(2)27(19(3)4,20(5)6)26-17-16-25(10)22(8)14-15-24(9)21(7)12-11-13-23(24)25/h12,18-20,22-23H,11,13-17H2,1-10H3/t22-,23+,24+,25+/m1/s1
InChIKeyCMBPLTUBLQHSRO-ROHNOIKCSA-N
MW392.74 g/mol
LogP8.37
Rot. Bonds7

About 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane

2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane (PubChem CID 11036625) has the molecular formula C25H48OSi and a molecular weight of 392.74 g/mol. Its IUPAC name is 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane
PubChem CID11036625
Molecular FormulaC25H48OSi
Molecular Weight392.74 g/mol
Exact Mass392.35
IUPAC Name2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane
SMILESCC1=CCC[C@@H]2[C@@](C)(CCO[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CC[C@@]12C
InChIInChI=1S/C25H48OSi/c1-18(2)27(19(3)4,20(5)6)26-17-16-25(10)22(8)14-15-24(9)21(7)12-11-13-23(24)25/h12,18-20,22-23H,11,13-17H2,1-10H3/t22-,23+,24+,25+/m1/s1
InChIKeyCMBPLTUBLQHSRO-ROHNOIKCSA-N
XLogP8.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.74
LogP ≤ 58.37
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane?
The IUPAC name of 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane (CID 11036625) is 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane?
The canonical SMILES for 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane is CC1=CCC[C@@H]2[C@@](C)(CCO[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CC[C@@]12C.
What is the InChIKey of 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane?
The InChIKey is CMBPLTUBLQHSRO-ROHNOIKCSA-N. The full InChI is InChI=1S/C25H48OSi/c1-18(2)27(19(3)4,20(5)6)26-17-16-25(10)22(8)14-15-24(9)21(7)12-11-13-23(24)25/h12,18-20,22-23H,11,13-17H2,1-10H3/t22-,23+,24+,25+/m1/s1.
What are the key properties of 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane?
2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane has a molecular weight of 392.74 g/mol, XLogP of 8.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11036625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).