2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane

C21H40OSi — CID 134850365

IUPAC2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane
SMILESCOCCCC1(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCCC1
InChIInChI=1S/C21H40OSi/c1-18(2)23(19(3)4,20(5)6)17-15-21(14-11-16-22-7)12-9-8-10-13-21/h18-20H,8-14,16H2,1-7H3
InChIKeyCCOHPJBVBOFZLE-UHFFFAOYSA-N
MW336.64 g/mol
LogP6.58
Rot. Bonds7

About 2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane

2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane (PubChem CID 134850365) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is 2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane
PubChem CID134850365
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Name2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane
SMILESCOCCCC1(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCCC1
InChIInChI=1S/C21H40OSi/c1-18(2)23(19(3)4,20(5)6)17-15-21(14-11-16-22-7)12-9-8-10-13-21/h18-20H,8-14,16H2,1-7H3
InChIKeyCCOHPJBVBOFZLE-UHFFFAOYSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.64
LogP ≤ 56.58
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane (CID 134850365) is 2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane is COCCCC1(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCCC1.
What is the InChIKey of 2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is CCOHPJBVBOFZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40OSi/c1-18(2)23(19(3)4,20(5)6)17-15-21(14-11-16-22-7)12-9-8-10-13-21/h18-20H,8-14,16H2,1-7H3.
What are the key properties of 2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane?
2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 336.64 g/mol, XLogP of 6.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropyl)cyclohexyl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 134850365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).