1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol

C37H66O6Si — CID 87530115

IUPAC1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
SMILESC#CCCC(CCC#CC(OCOC)C1CCC(C2CCC(C(O)CCCCCCCCCC)O2)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H66O6Si/c1-9-11-13-14-15-16-17-18-23-31(38)32-25-26-35(41-32)36-28-27-34(42-36)33(40-29-39-6)24-20-19-22-30(21-12-10-2)43-44(7,8)37(3,4)5/h2,30-36,38H,9,11-19,21-23,25-29H2,1,3-8H3
InChIKeyINQZPWQQHAJULY-UHFFFAOYSA-N
MW635.02 g/mol
LogP8.55
Rot. Bonds21

About 1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol

1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol (PubChem CID 87530115) has the molecular formula C37H66O6Si and a molecular weight of 635.02 g/mol. Its IUPAC name is 1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol.

Molecular Properties

Compound Name1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
PubChem CID87530115
Molecular FormulaC37H66O6Si
Molecular Weight635.02 g/mol
Exact Mass634.46
IUPAC Name1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
SMILESC#CCCC(CCC#CC(OCOC)C1CCC(C2CCC(C(O)CCCCCCCCCC)O2)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H66O6Si/c1-9-11-13-14-15-16-17-18-23-31(38)32-25-26-35(41-32)36-28-27-34(42-36)33(40-29-39-6)24-20-19-22-30(21-12-10-2)43-44(7,8)37(3,4)5/h2,30-36,38H,9,11-19,21-23,25-29H2,1,3-8H3
InChIKeyINQZPWQQHAJULY-UHFFFAOYSA-N
XLogP8.55
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.02
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol?
The IUPAC name of 1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol (CID 87530115) is 1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol.
What is the SMILES notation for 1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol?
The canonical SMILES for 1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol is C#CCCC(CCC#CC(OCOC)C1CCC(C2CCC(C(O)CCCCCCCCCC)O2)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol?
The InChIKey is INQZPWQQHAJULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H66O6Si/c1-9-11-13-14-15-16-17-18-23-31(38)32-25-26-35(41-32)36-28-27-34(42-36)33(40-29-39-6)24-20-19-22-30(21-12-10-2)43-44(7,8)37(3,4)5/h2,30-36,38H,9,11-19,21-23,25-29H2,1,3-8H3.
What are the key properties of 1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol?
1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol has a molecular weight of 635.02 g/mol, XLogP of 8.55, 21 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-[6-[tert-butyl(dimethyl)silyl]oxy-1-(methoxymethoxy)deca-2,9-diynyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol is sourced from PubChem (CID 87530115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).