CID 174640922

C20H27O3Sn — CID 174640922

IUPAC—
SMILESCOc1ccccc1CCc1ccccc1OCC(O)C[Sn](C)C
InChIInChI=1S/C18H21O3.2CH3.Sn/c1-14(19)13-21-18-10-6-4-8-16(18)12-11-15-7-3-5-9-17(15)20-2;;;/h3-10,14,19H,1,11-13H2,2H3;2*1H3;
InChIKeyHNGPQZFGMHHLCF-UHFFFAOYSA-N
MW434.14 g/mol
LogP3.97
Rot. Bonds9

About CID 174640922

CID 174640922 (PubChem CID 174640922) has the molecular formula C20H27O3Sn and a molecular weight of 434.14 g/mol.

Molecular Properties

Compound NameCID 174640922
PubChem CID174640922
Molecular FormulaC20H27O3Sn
Molecular Weight434.14 g/mol
Exact Mass435.10
IUPAC Name—
SMILESCOc1ccccc1CCc1ccccc1OCC(O)C[Sn](C)C
InChIInChI=1S/C18H21O3.2CH3.Sn/c1-14(19)13-21-18-10-6-4-8-16(18)12-11-15-7-3-5-9-17(15)20-2;;;/h3-10,14,19H,1,11-13H2,2H3;2*1H3;
InChIKeyHNGPQZFGMHHLCF-UHFFFAOYSA-N
XLogP3.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.14
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 174640922?
The IUPAC name of CID 174640922 (CID 174640922) is not available.
What is the SMILES notation for CID 174640922?
The canonical SMILES for CID 174640922 is COc1ccccc1CCc1ccccc1OCC(O)C[Sn](C)C.
What is the InChIKey of CID 174640922?
The InChIKey is HNGPQZFGMHHLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O3.2CH3.Sn/c1-14(19)13-21-18-10-6-4-8-16(18)12-11-15-7-3-5-9-17(15)20-2;;;/h3-10,14,19H,1,11-13H2,2H3;2*1H3;.
What are the key properties of CID 174640922?
CID 174640922 has a molecular weight of 434.14 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174640922 is sourced from PubChem (CID 174640922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).