[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane

C22H46O2Si — CID 174162238

IUPAC[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane
SMILESCOCC(CC[Si](C(C)C)(C(C)C)C(C)C)(COC)C1CCCCC1
InChIInChI=1S/C22H46O2Si/c1-18(2)25(19(3)4,20(5)6)15-14-22(16-23-7,17-24-8)21-12-10-9-11-13-21/h18-21H,9-17H2,1-8H3
InChIKeyDHEHVHPGZPAWTR-UHFFFAOYSA-N
MW370.69 g/mol
LogP6.91
Rot. Bonds11

About [3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane

[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane (PubChem CID 174162238) has the molecular formula C22H46O2Si and a molecular weight of 370.69 g/mol. Its IUPAC name is [3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane
PubChem CID174162238
Molecular FormulaC22H46O2Si
Molecular Weight370.69 g/mol
Exact Mass370.33
IUPAC Name[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane
SMILESCOCC(CC[Si](C(C)C)(C(C)C)C(C)C)(COC)C1CCCCC1
InChIInChI=1S/C22H46O2Si/c1-18(2)25(19(3)4,20(5)6)15-14-22(16-23-7,17-24-8)21-12-10-9-11-13-21/h18-21H,9-17H2,1-8H3
InChIKeyDHEHVHPGZPAWTR-UHFFFAOYSA-N
XLogP6.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 22020719
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CID 22020728
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CID 22372585
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CID 22598182
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CID 23374087
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CID 58770250

Frequently Asked Questions

What is the IUPAC name of [3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane?
The IUPAC name of [3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane (CID 174162238) is [3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane is COCC(CC[Si](C(C)C)(C(C)C)C(C)C)(COC)C1CCCCC1.
What is the InChIKey of [3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane?
The InChIKey is DHEHVHPGZPAWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2Si/c1-18(2)25(19(3)4,20(5)6)15-14-22(16-23-7,17-24-8)21-12-10-9-11-13-21/h18-21H,9-17H2,1-8H3.
What are the key properties of [3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane?
[3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane has a molecular weight of 370.69 g/mol, XLogP of 6.91, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclohexyl-4-methoxy-3-(methoxymethyl)butyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 174162238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).