2-methyl-4-tributylstannylpent-4-en-2-ol

C18H38OSn — CID 15155654

IUPAC2-methyl-4-tributylstannylpent-4-en-2-ol
SMILESC=C(CC(C)(C)O)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H11O.3C4H9.Sn/c1-4-5-6(2,3)7;3*1-3-4-2;/h7H,1,5H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyPLDIHJSADPLMEU-UHFFFAOYSA-N
MW389.21 g/mol
LogP6.09
Rot. Bonds12

About 2-methyl-4-tributylstannylpent-4-en-2-ol

2-methyl-4-tributylstannylpent-4-en-2-ol (PubChem CID 15155654) has the molecular formula C18H38OSn and a molecular weight of 389.21 g/mol. Its IUPAC name is 2-methyl-4-tributylstannylpent-4-en-2-ol.

Molecular Properties

Compound Name2-methyl-4-tributylstannylpent-4-en-2-ol
PubChem CID15155654
Molecular FormulaC18H38OSn
Molecular Weight389.21 g/mol
Exact Mass390.19
IUPAC Name2-methyl-4-tributylstannylpent-4-en-2-ol
SMILESC=C(CC(C)(C)O)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H11O.3C4H9.Sn/c1-4-5-6(2,3)7;3*1-3-4-2;/h7H,1,5H2,2-3H3;3*1,3-4H2,2H3;
InChIKeyPLDIHJSADPLMEU-UHFFFAOYSA-N
XLogP6.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.21
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-tributylstannylpent-4-en-2-ol?
The IUPAC name of 2-methyl-4-tributylstannylpent-4-en-2-ol (CID 15155654) is 2-methyl-4-tributylstannylpent-4-en-2-ol.
What is the SMILES notation for 2-methyl-4-tributylstannylpent-4-en-2-ol?
The canonical SMILES for 2-methyl-4-tributylstannylpent-4-en-2-ol is C=C(CC(C)(C)O)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of 2-methyl-4-tributylstannylpent-4-en-2-ol?
The InChIKey is PLDIHJSADPLMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O.3C4H9.Sn/c1-4-5-6(2,3)7;3*1-3-4-2;/h7H,1,5H2,2-3H3;3*1,3-4H2,2H3;.
What are the key properties of 2-methyl-4-tributylstannylpent-4-en-2-ol?
2-methyl-4-tributylstannylpent-4-en-2-ol has a molecular weight of 389.21 g/mol, XLogP of 6.09, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-tributylstannylpent-4-en-2-ol is sourced from PubChem (CID 15155654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).