2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol

C14H32O2Si — CID 123721380

IUPAC2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol
SMILESCC(C)CC(C)(C(O)OCCC[SiH3])C(C)(C)C
InChIInChI=1S/C14H32O2Si/c1-11(2)10-14(6,13(3,4)5)12(15)16-8-7-9-17/h11-12,15H,7-10H2,1-6,17H3
InChIKeyPHTPAENKWTUTDP-UHFFFAOYSA-N
MW260.49 g/mol
LogP2.59
Rot. Bonds7

About 2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol

2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol (PubChem CID 123721380) has the molecular formula C14H32O2Si and a molecular weight of 260.49 g/mol. Its IUPAC name is 2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol
PubChem CID123721380
Molecular FormulaC14H32O2Si
Molecular Weight260.49 g/mol
Exact Mass260.22
IUPAC Name2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol
SMILESCC(C)CC(C)(C(O)OCCC[SiH3])C(C)(C)C
InChIInChI=1S/C14H32O2Si/c1-11(2)10-14(6,13(3,4)5)12(15)16-8-7-9-17/h11-12,15H,7-10H2,1-6,17H3
InChIKeyPHTPAENKWTUTDP-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol?
The IUPAC name of 2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol (CID 123721380) is 2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol.
What is the SMILES notation for 2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol?
The canonical SMILES for 2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol is CC(C)CC(C)(C(O)OCCC[SiH3])C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol?
The InChIKey is PHTPAENKWTUTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O2Si/c1-11(2)10-14(6,13(3,4)5)12(15)16-8-7-9-17/h11-12,15H,7-10H2,1-6,17H3.
What are the key properties of 2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol?
2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol has a molecular weight of 260.49 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,4-dimethyl-1-(3-silylpropoxy)pentan-1-ol is sourced from PubChem (CID 123721380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).