tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane

C23H48OSi2 — CID 134830905

IUPACtri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane
SMILESCC(C)[Si](C#CCCCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H48OSi2/c1-18(2)25(19(3)4,20(5)6)17-15-13-14-16-24-26(21(7)8,22(9)10)23(11)12/h18-23H,13-14,16H2,1-12H3
InChIKeyMNGZVRLLRYEUSO-UHFFFAOYSA-N
MW396.81 g/mol
LogP8.18
Rot. Bonds10

About tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane

tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane (PubChem CID 134830905) has the molecular formula C23H48OSi2 and a molecular weight of 396.81 g/mol. Its IUPAC name is tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane
PubChem CID134830905
Molecular FormulaC23H48OSi2
Molecular Weight396.81 g/mol
Exact Mass396.32
IUPAC Nametri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane
SMILESCC(C)[Si](C#CCCCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H48OSi2/c1-18(2)25(19(3)4,20(5)6)17-15-13-14-16-24-26(21(7)8,22(9)10)23(11)12/h18-23H,13-14,16H2,1-12H3
InChIKeyMNGZVRLLRYEUSO-UHFFFAOYSA-N
XLogP8.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.81
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Triethyl((4-(triethylsilyl)-3-butyn-1-yl)oxy)silane
CID 10935420
Silane, trimethyl[3-[(trimethylsilyl)oxy]-1-propynyl]-
CID 359338
Trimethyl[4-[(trimethylsilyl)oxy]-1-butynyl]silane
CID 11745995
Tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane
CID 134970998
Pent-4-ynoxy-tri(propan-2-yl)silane
CID 5461494
Trimethyl(6-trimethylsilylhex-5-ynoxy)silane
CID 10243473
4,9-Dioxa-3,10-disiladodec-6-yne, 2,2,3,3,10,10,11,11-octamethyl-
CID 10757684
1-t-Butyldimethylsilyloxy-5-trimethylsilyl-4-pentyne
CID 10923628
Tert-butyl(3-(tert-butyldimethylsilyl)prop-2-ynyloxy)-dimethylsilane
CID 10968062
Tert-butyl-dimethyl-(6-trimethylsilylhex-5-ynoxy)silane
CID 11129835
2,2,3,3,12,12,13,13-Octamethyl-4,11-dioxa-3,12-disilatetradec-7-yne
CID 13470485
Trimethylsilyl 5-(trimethylsilyl)-4-pentynyl ether
CID 13661363

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane?
The IUPAC name of tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane (CID 134830905) is tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane is CC(C)[Si](C#CCCCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane?
The InChIKey is MNGZVRLLRYEUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48OSi2/c1-18(2)25(19(3)4,20(5)6)17-15-13-14-16-24-26(21(7)8,22(9)10)23(11)12/h18-23H,13-14,16H2,1-12H3.
What are the key properties of tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane?
tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane has a molecular weight of 396.81 g/mol, XLogP of 8.18, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynyl]silane is sourced from PubChem (CID 134830905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).