4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol

C19H40OSn — CID 15326980

IUPAC4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol
SMILESC=C(C[Sn](CCCC)(CCCC)CCCC)C(O)C(C)C
InChIInChI=1S/C7H13O.3C4H9.Sn/c1-5(2)7(8)6(3)4;3*1-3-4-2;/h6-8H,1-2H2,3-4H3;3*1,3-4H2,2H3;
InChIKeyUHDISGLASHRTNG-UHFFFAOYSA-N
MW403.24 g/mol
LogP6.41
Rot. Bonds13

About 4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol

4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol (PubChem CID 15326980) has the molecular formula C19H40OSn and a molecular weight of 403.24 g/mol. Its IUPAC name is 4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol.

Molecular Properties

Compound Name4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol
PubChem CID15326980
Molecular FormulaC19H40OSn
Molecular Weight403.24 g/mol
Exact Mass404.21
IUPAC Name4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol
SMILESC=C(C[Sn](CCCC)(CCCC)CCCC)C(O)C(C)C
InChIInChI=1S/C7H13O.3C4H9.Sn/c1-5(2)7(8)6(3)4;3*1-3-4-2;/h6-8H,1-2H2,3-4H3;3*1,3-4H2,2H3;
InChIKeyUHDISGLASHRTNG-UHFFFAOYSA-N
XLogP6.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.24
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetrabutylstannane
CID 160899301
(1R)-2-methyl-1-tributylstannylpropan-1-ol
CID 71355540
tributyl(2,3-dimethylbut-2-enyl)stannane
CID 14226850
tetrabutylstannane;hydrate
CID 87560971
tributyl-[2-(methylsulfanylmethoxymethyl)prop-2-enyl]stannane
CID 177404694
ethyl 3-(tributylstannylmethyl)but-3-enoate
CID 10982626
tributyl-(1,1-difluoro-3-tributylstannylprop-1-en-2-yl)stannane
CID 10032272
tributyl(hexadecyl)stannane
CID 174658060
prop-2-enyl 2-tributylstannylacetate
CID 13096282
(2S)-1-(tributylstannylmethoxy)propan-2-amine
CID 91667243
octane;propan-2-ol
CID 160746796
butyl(trioctyl)stannane;hydrochloride
CID 175572560

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol?
The IUPAC name of 4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol (CID 15326980) is 4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol.
What is the SMILES notation for 4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol?
The canonical SMILES for 4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol is C=C(C[Sn](CCCC)(CCCC)CCCC)C(O)C(C)C.
What is the InChIKey of 4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol?
The InChIKey is UHDISGLASHRTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O.3C4H9.Sn/c1-5(2)7(8)6(3)4;3*1-3-4-2;/h6-8H,1-2H2,3-4H3;3*1,3-4H2,2H3;.
What are the key properties of 4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol?
4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol has a molecular weight of 403.24 g/mol, XLogP of 6.41, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(tributylstannylmethyl)pent-1-en-3-ol is sourced from PubChem (CID 15326980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).