CID 163259974

C40H60O3Si- — CID 163259974

IUPAC—
SMILESCCCCCCCCCCCCCCO[C@H](COCc1ccccc1)CO[Si-](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C40H60O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-25-32-42-37(34-41-33-36-26-19-16-20-27-36)35-43-44(40(2,3)4,38-28-21-17-22-29-38)39-30-23-18-24-31-39/h16-24,26-31,37H,5-15,25,32-35H2,1-4H3/q-1/t37-/m1/s1
InChIKeyCOJSOTOCBJJDFL-DIPNUNPCSA-N
MW617.00 g/mol
LogP9.87
Rot. Bonds23

About CID 163259974

CID 163259974 (PubChem CID 163259974) has the molecular formula C40H60O3Si- and a molecular weight of 617.00 g/mol.

Molecular Properties

Compound NameCID 163259974
PubChem CID163259974
Molecular FormulaC40H60O3Si-
Molecular Weight617.00 g/mol
Exact Mass616.43
IUPAC Name—
SMILESCCCCCCCCCCCCCCO[C@H](COCc1ccccc1)CO[Si-](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C40H60O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-25-32-42-37(34-41-33-36-26-19-16-20-27-36)35-43-44(40(2,3)4,38-28-21-17-22-29-38)39-30-23-18-24-31-39/h16-24,26-31,37H,5-15,25,32-35H2,1-4H3/q-1/t37-/m1/s1
InChIKeyCOJSOTOCBJJDFL-DIPNUNPCSA-N
XLogP9.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.00
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 163259974 with MolForge

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

Launch Full Analysis

Related Compounds

[(2S)-3-methoxy-2-octadecoxypropoxy]methylbenzene
CID 167022005
(2S)-2-dodecoxy-3-phenylmethoxypropan-1-amine
CID 134231556
(2-decoxy-3-phenylmethoxypropyl) methanesulfonate
CID 118469001
benzyl 2,3-dioctoxypropyl methyl phosphate
CID 10505557
[(2S)-3-hexadecoxy-2-phenylmethoxypropyl]phosphane
CID 175546290
azane;hexoxymethylbenzene
CID 174805489
methyl 2-(1-octadecoxy-3-phenylmethoxypropan-2-yl)oxyacetate
CID 54329690
2-octadecan-5-yloxyethoxymethylbenzene
CID 122548106
2,3-bis(hexadec-15-ynoxy)propoxymethylbenzene
CID 85364376
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482

Frequently Asked Questions

What is the IUPAC name of CID 163259974?
The IUPAC name of CID 163259974 (CID 163259974) is not available.
What is the SMILES notation for CID 163259974?
The canonical SMILES for CID 163259974 is CCCCCCCCCCCCCCO[C@H](COCc1ccccc1)CO[Si-](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of CID 163259974?
The InChIKey is COJSOTOCBJJDFL-DIPNUNPCSA-N. The full InChI is InChI=1S/C40H60O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-25-32-42-37(34-41-33-36-26-19-16-20-27-36)35-43-44(40(2,3)4,38-28-21-17-22-29-38)39-30-23-18-24-31-39/h16-24,26-31,37H,5-15,25,32-35H2,1-4H3/q-1/t37-/m1/s1.
What are the key properties of CID 163259974?
CID 163259974 has a molecular weight of 617.00 g/mol, XLogP of 9.87, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163259974 is sourced from PubChem (CID 163259974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).