(3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane

C18H40O3Si — CID 91102793

IUPAC(3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane
SMILESCCC(C(C)[Si](OC(C)C)(OC(C)C)OC(C)C)C(C)(C)C
InChIInChI=1S/C18H40O3Si/c1-12-17(18(9,10)11)16(8)22(19-13(2)3,20-14(4)5)21-15(6)7/h13-17H,12H2,1-11H3
InChIKeySTWUTARCZQREHJ-UHFFFAOYSA-N
MW332.60 g/mol
LogP5.66
Rot. Bonds9

About (3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane

(3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane (PubChem CID 91102793) has the molecular formula C18H40O3Si and a molecular weight of 332.60 g/mol. Its IUPAC name is (3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane.

Molecular Properties

Compound Name(3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane
PubChem CID91102793
Molecular FormulaC18H40O3Si
Molecular Weight332.60 g/mol
Exact Mass332.27
IUPAC Name(3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane
SMILESCCC(C(C)[Si](OC(C)C)(OC(C)C)OC(C)C)C(C)(C)C
InChIInChI=1S/C18H40O3Si/c1-12-17(18(9,10)11)16(8)22(19-13(2)3,20-14(4)5)21-15(6)7/h13-17H,12H2,1-11H3
InChIKeySTWUTARCZQREHJ-UHFFFAOYSA-N
XLogP5.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.60
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2,2,4,5-tetramethylhexane
CID 53428653
1-tri(propan-2-yloxy)silylpropane-1-thiol
CID 87195063
hexan-3-yl-tri(propan-2-yloxy)silane
CID 141028246
3-ethyl-2,2,4-trimethylheptane
CID 22354769
3-ethyl-2,2,4,6-tetramethyloctane
CID 57492379
(3S)-3-ethyl-2,2-difluoro-4-methylpentane
CID 178144568
2-tert-butyl-3-methyl-N-propylpentan-1-amine
CID 83138330
ethyl-(3-methylpentan-3-yl)-di(propan-2-yloxy)silane
CID 153327755
4-ethyl-2,2,5,5-tetramethyl-N-propan-2-ylhexan-3-amine
CID 139311655
2,2,5-trimethyl-3-propan-2-ylheptane
CID 57158137
decyl-(3-ethyl-2,4-dimethylpentan-2-yl)-dimethoxysilane
CID 151840194
N-(2-tert-butyl-3-methylpentyl)cyclopropanamine
CID 83138542

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane?
The IUPAC name of (3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane (CID 91102793) is (3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane.
What is the SMILES notation for (3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane?
The canonical SMILES for (3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane is CCC(C(C)[Si](OC(C)C)(OC(C)C)OC(C)C)C(C)(C)C.
What is the InChIKey of (3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane?
The InChIKey is STWUTARCZQREHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si/c1-12-17(18(9,10)11)16(8)22(19-13(2)3,20-14(4)5)21-15(6)7/h13-17H,12H2,1-11H3.
What are the key properties of (3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane?
(3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane has a molecular weight of 332.60 g/mol, XLogP of 5.66, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4,4-dimethylpentan-2-yl)-tri(propan-2-yloxy)silane is sourced from PubChem (CID 91102793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).