31-trimethoxysilylhentriacontan-1-ol

C34H72O4Si — CID 87684107

IUPAC31-trimethoxysilylhentriacontan-1-ol
SMILESCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)(OC)OC
InChIInChI=1S/C34H72O4Si/c1-36-39(37-2,38-3)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35/h35H,4-34H2,1-3H3
InChIKeyDHTUXFKBKUGTSB-UHFFFAOYSA-N
MW573.03 g/mol
LogP11.17
Rot. Bonds34

About 31-trimethoxysilylhentriacontan-1-ol

31-trimethoxysilylhentriacontan-1-ol (PubChem CID 87684107) has the molecular formula C34H72O4Si and a molecular weight of 573.03 g/mol. Its IUPAC name is 31-trimethoxysilylhentriacontan-1-ol.

Molecular Properties

Compound Name31-trimethoxysilylhentriacontan-1-ol
PubChem CID87684107
Molecular FormulaC34H72O4Si
Molecular Weight573.03 g/mol
Exact Mass572.52
IUPAC Name31-trimethoxysilylhentriacontan-1-ol
SMILESCO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)(OC)OC
InChIInChI=1S/C34H72O4Si/c1-36-39(37-2,38-3)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35/h35H,4-34H2,1-3H3
InChIKeyDHTUXFKBKUGTSB-UHFFFAOYSA-N
XLogP11.17
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.03
LogP ≤ 511.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-trimethoxysilylhexan-1-ol
CID 22497813
16-trimethoxysilylhexadecan-1-ol
CID 87683754
26-trimethoxysilylhexacosan-1-ol
CID 87686281
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
37-triethoxysilylheptatriacontan-1-ol
CID 87684596
methoxymethane;octane-1,8-diol
CID 175193596
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
33-trimethoxysilyltritriacontan-1-amine
CID 87686996
dodecyl(trimethoxy)silane;octane
CID 174570785
trimethoxy(pentacontyl)silane
CID 87930715
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771

Frequently Asked Questions

What is the IUPAC name of 31-trimethoxysilylhentriacontan-1-ol?
The IUPAC name of 31-trimethoxysilylhentriacontan-1-ol (CID 87684107) is 31-trimethoxysilylhentriacontan-1-ol.
What is the SMILES notation for 31-trimethoxysilylhentriacontan-1-ol?
The canonical SMILES for 31-trimethoxysilylhentriacontan-1-ol is CO[Si](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)(OC)OC.
What is the InChIKey of 31-trimethoxysilylhentriacontan-1-ol?
The InChIKey is DHTUXFKBKUGTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H72O4Si/c1-36-39(37-2,38-3)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35/h35H,4-34H2,1-3H3.
What are the key properties of 31-trimethoxysilylhentriacontan-1-ol?
31-trimethoxysilylhentriacontan-1-ol has a molecular weight of 573.03 g/mol, XLogP of 11.17, 34 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 31-trimethoxysilylhentriacontan-1-ol is sourced from PubChem (CID 87684107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).