(E)-6-tributylstannylhex-4-en-3-ol

C18H38OSn — CID 134904944

IUPAC(E)-6-tributylstannylhex-4-en-3-ol
SMILESCCCC[Sn](C/C=C/C(O)CC)(CCCC)CCCC
InChIInChI=1S/C6H11O.3C4H9.Sn/c1-3-5-6(7)4-2;3*1-3-4-2;/h3,5-7H,1,4H2,2H3;3*1,3-4H2,2H3;/b5-3+;;;;
InChIKeyGPPBDHDCCMFZCT-WPRNHGRKSA-N
MW389.21 g/mol
LogP6.16
Rot. Bonds13

About (E)-6-tributylstannylhex-4-en-3-ol

(E)-6-tributylstannylhex-4-en-3-ol (PubChem CID 134904944) has the molecular formula C18H38OSn and a molecular weight of 389.21 g/mol. Its IUPAC name is (E)-6-tributylstannylhex-4-en-3-ol.

Molecular Properties

Compound Name(E)-6-tributylstannylhex-4-en-3-ol
PubChem CID134904944
Molecular FormulaC18H38OSn
Molecular Weight389.21 g/mol
Exact Mass390.19
IUPAC Name(E)-6-tributylstannylhex-4-en-3-ol
SMILESCCCC[Sn](C/C=C/C(O)CC)(CCCC)CCCC
InChIInChI=1S/C6H11O.3C4H9.Sn/c1-3-5-6(7)4-2;3*1-3-4-2;/h3,5-7H,1,4H2,2H3;3*1,3-4H2,2H3;/b5-3+;;;;
InChIKeyGPPBDHDCCMFZCT-WPRNHGRKSA-N
XLogP6.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.21
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6-tributylstannylhex-4-en-3-ol?
The IUPAC name of (E)-6-tributylstannylhex-4-en-3-ol (CID 134904944) is (E)-6-tributylstannylhex-4-en-3-ol.
What is the SMILES notation for (E)-6-tributylstannylhex-4-en-3-ol?
The canonical SMILES for (E)-6-tributylstannylhex-4-en-3-ol is CCCC[Sn](C/C=C/C(O)CC)(CCCC)CCCC.
What is the InChIKey of (E)-6-tributylstannylhex-4-en-3-ol?
The InChIKey is GPPBDHDCCMFZCT-WPRNHGRKSA-N. The full InChI is InChI=1S/C6H11O.3C4H9.Sn/c1-3-5-6(7)4-2;3*1-3-4-2;/h3,5-7H,1,4H2,2H3;3*1,3-4H2,2H3;/b5-3+;;;;.
What are the key properties of (E)-6-tributylstannylhex-4-en-3-ol?
(E)-6-tributylstannylhex-4-en-3-ol has a molecular weight of 389.21 g/mol, XLogP of 6.16, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-tributylstannylhex-4-en-3-ol is sourced from PubChem (CID 134904944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).