CID 67364602

C29H62O3Sn2 — CID 67364602

IUPAC—
SMILESCCCC[Sn](CCCC)OC(CCCC)(CCCC)CC[Sn](OCCC(C)C)OCCC(C)C
InChIInChI=1S/C11H22O.2C5H11O.2C4H9.2Sn/c1-4-7-9-11(12,6-3)10-8-5-2;2*1-5(2)3-4-6;2*1-3-4-2;;/h3-10H2,1-2H3;2*5H,3-4H2,1-2H3;2*1,3-4H2,2H3;;/q3*-1;;;+1;+2
InChIKeyBMAVXKCSRJNXAM-UHFFFAOYSA-N
MW696.23 g/mol
LogP9.72
Rot. Bonds25

About CID 67364602

CID 67364602 (PubChem CID 67364602) has the molecular formula C29H62O3Sn2 and a molecular weight of 696.23 g/mol.

Molecular Properties

Compound NameCID 67364602
PubChem CID67364602
Molecular FormulaC29H62O3Sn2
Molecular Weight696.23 g/mol
Exact Mass698.27
IUPAC Name—
SMILESCCCC[Sn](CCCC)OC(CCCC)(CCCC)CC[Sn](OCCC(C)C)OCCC(C)C
InChIInChI=1S/C11H22O.2C5H11O.2C4H9.2Sn/c1-4-7-9-11(12,6-3)10-8-5-2;2*1-5(2)3-4-6;2*1-3-4-2;;/h3-10H2,1-2H3;2*5H,3-4H2,1-2H3;2*1,3-4H2,2H3;;/q3*-1;;;+1;+2
InChIKeyBMAVXKCSRJNXAM-UHFFFAOYSA-N
XLogP9.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.23
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57230356
2-ethyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)hexan-1-amine
CID 63508789
2-methyl-5-[2-methyl-5-(2-methylpropyl)hexadecan-5-yl]oxy-5-(2-methylpropyl)hexadecane
CID 140985086
1-(3-methylbutylperoxy)hexane
CID 87872309
19-(7-methyloctyl)heptatriacontan-19-yl dihydrogen phosphite
CID 141190612
1-[2-(3-methylbutoxy)ethoxy]tetradecane
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Frequently Asked Questions

What is the IUPAC name of CID 67364602?
The IUPAC name of CID 67364602 (CID 67364602) is not available.
What is the SMILES notation for CID 67364602?
The canonical SMILES for CID 67364602 is CCCC[Sn](CCCC)OC(CCCC)(CCCC)CC[Sn](OCCC(C)C)OCCC(C)C.
What is the InChIKey of CID 67364602?
The InChIKey is BMAVXKCSRJNXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O.2C5H11O.2C4H9.2Sn/c1-4-7-9-11(12,6-3)10-8-5-2;2*1-5(2)3-4-6;2*1-3-4-2;;/h3-10H2,1-2H3;2*5H,3-4H2,1-2H3;2*1,3-4H2,2H3;;/q3*-1;;;+1;+2.
What are the key properties of CID 67364602?
CID 67364602 has a molecular weight of 696.23 g/mol, XLogP of 9.72, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67364602 is sourced from PubChem (CID 67364602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).