[3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane

C30H62O2Si — CID 174162275

IUPAC[3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane
SMILESCC(C)CCOCC(CC[Si](C(C)C)(C(C)C)C(C)C)(COCCC(C)C)C1CCCCC1
InChIInChI=1S/C30H62O2Si/c1-24(2)16-19-31-22-30(23-32-20-17-25(3)4,29-14-12-11-13-15-29)18-21-33(26(5)6,27(7)8)28(9)10/h24-29H,11-23H2,1-10H3
InChIKeyGVCCDIRPRDKGRP-UHFFFAOYSA-N
MW482.91 g/mol
LogP9.75
Rot. Bonds17

About [3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane

[3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane (PubChem CID 174162275) has the molecular formula C30H62O2Si and a molecular weight of 482.91 g/mol. Its IUPAC name is [3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane
PubChem CID174162275
Molecular FormulaC30H62O2Si
Molecular Weight482.91 g/mol
Exact Mass482.45
IUPAC Name[3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane
SMILESCC(C)CCOCC(CC[Si](C(C)C)(C(C)C)C(C)C)(COCCC(C)C)C1CCCCC1
InChIInChI=1S/C30H62O2Si/c1-24(2)16-19-31-22-30(23-32-20-17-25(3)4,29-14-12-11-13-15-29)18-21-33(26(5)6,27(7)8)28(9)10/h24-29H,11-23H2,1-10H3
InChIKeyGVCCDIRPRDKGRP-UHFFFAOYSA-N
XLogP9.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.91
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane?
The IUPAC name of [3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane (CID 174162275) is [3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane is CC(C)CCOCC(CC[Si](C(C)C)(C(C)C)C(C)C)(COCCC(C)C)C1CCCCC1.
What is the InChIKey of [3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane?
The InChIKey is GVCCDIRPRDKGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O2Si/c1-24(2)16-19-31-22-30(23-32-20-17-25(3)4,29-14-12-11-13-15-29)18-21-33(26(5)6,27(7)8)28(9)10/h24-29H,11-23H2,1-10H3.
What are the key properties of [3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane?
[3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane has a molecular weight of 482.91 g/mol, XLogP of 9.75, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclohexyl-4-(3-methylbutoxy)-3-(3-methylbutoxymethyl)butyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 174162275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).