2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane

C22H42OSi — CID 134937269

IUPAC2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane
SMILESCCCCCCC1CCCC(C#C[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C22H42OSi/c1-8-9-10-11-13-21-14-12-15-22(23-21)16-17-24(18(2)3,19(4)5)20(6)7/h18-22H,8-15H2,1-7H3
InChIKeyKTVNQQVGJTXDME-UHFFFAOYSA-N
MW350.66 g/mol
LogP7.12
Rot. Bonds8

About 2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane

2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane (PubChem CID 134937269) has the molecular formula C22H42OSi and a molecular weight of 350.66 g/mol. Its IUPAC name is 2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane
PubChem CID134937269
Molecular FormulaC22H42OSi
Molecular Weight350.66 g/mol
Exact Mass350.30
IUPAC Name2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane
SMILESCCCCCCC1CCCC(C#C[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C22H42OSi/c1-8-9-10-11-13-21-14-12-15-22(23-21)16-17-24(18(2)3,19(4)5)20(6)7/h18-22H,8-15H2,1-7H3
InChIKeyKTVNQQVGJTXDME-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.66
LogP ≤ 57.12
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

(15,15-Difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane
CID 170689021
trimethyl-[2-[(2R,5S)-5-pentyloxolan-2-yl]ethynyl]silane
CID 10490147
trimethyl-[2-[(2R,6S)-6-pentyloxan-2-yl]ethynyl]silane
CID 10586947
trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane
CID 10611837
trimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane
CID 10731481
(6-Ethyloxan-2-yl)-trimethylsilane
CID 13214712
3-Methoxynon-1-ynyl(trimethyl)silane
CID 44603876
2-(Oxan-2-yl)ethynyl-tri(propan-2-yl)silane
CID 85749031
2-Methyl(pentamethylene)silyloxytridecane
CID 536205
3-Methyl(pentamethylene)silyloxytridecane
CID 536206
1-Methyl-1-[(1-propyldecyl)oxy]silinane
CID 536207
5-Methyl(pentamethylene)silyloxytridecane
CID 536208

Frequently Asked Questions

What is the IUPAC name of 2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane (CID 134937269) is 2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane is CCCCCCC1CCCC(C#C[Si](C(C)C)(C(C)C)C(C)C)O1.
What is the InChIKey of 2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is KTVNQQVGJTXDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42OSi/c1-8-9-10-11-13-21-14-12-15-22(23-21)16-17-24(18(2)3,19(4)5)20(6)7/h18-22H,8-15H2,1-7H3.
What are the key properties of 2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane?
2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 350.66 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 134937269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).