3-tributylstannylhexa-3,4-dien-1-ol

C18H36OSn — CID 15122114

IUPAC3-tributylstannylhexa-3,4-dien-1-ol
SMILESCC=C=C(CCO)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H9O.3C4H9.Sn/c1-2-3-4-5-6-7;3*1-3-4-2;/h2,7H,5-6H2,1H3;3*1,3-4H2,2H3;
InChIKeySFWPBEMPKCBZHW-UHFFFAOYSA-N
MW387.20 g/mol
LogP5.86
Rot. Bonds12

About 3-tributylstannylhexa-3,4-dien-1-ol

3-tributylstannylhexa-3,4-dien-1-ol (PubChem CID 15122114) has the molecular formula C18H36OSn and a molecular weight of 387.20 g/mol. Its IUPAC name is 3-tributylstannylhexa-3,4-dien-1-ol.

Molecular Properties

Compound Name3-tributylstannylhexa-3,4-dien-1-ol
PubChem CID15122114
Molecular FormulaC18H36OSn
Molecular Weight387.20 g/mol
Exact Mass388.18
IUPAC Name3-tributylstannylhexa-3,4-dien-1-ol
SMILESCC=C=C(CCO)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C6H9O.3C4H9.Sn/c1-2-3-4-5-6-7;3*1-3-4-2;/h2,7H,5-6H2,1H3;3*1,3-4H2,2H3;
InChIKeySFWPBEMPKCBZHW-UHFFFAOYSA-N
XLogP5.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.20
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 86034571
3-tributylstannylbut-3-en-1-ol
CID 14272948
tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane
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(5E)-4-(methoxymethoxy)-10-tributylstannyltrideca-5,10,11-trienal
CID 15700072
tributyl(nona-1,2-dien-3-yl)stannane
CID 86089506
(Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol
CID 11082898
(E)-3-tributylstannylhex-2-en-1-ol
CID 10362882
5-tributylstannylhex-5-en-1-ol
CID 11773674
(Z)-3-tributylstannylbut-2-en-1-ol
CID 11405747
(3E)-3-ethylideneheptan-1-ol
CID 134993443
(2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol
CID 10668737
4-ethyldeca-2,3-diene
CID 71328652

Frequently Asked Questions

What is the IUPAC name of 3-tributylstannylhexa-3,4-dien-1-ol?
The IUPAC name of 3-tributylstannylhexa-3,4-dien-1-ol (CID 15122114) is 3-tributylstannylhexa-3,4-dien-1-ol.
What is the SMILES notation for 3-tributylstannylhexa-3,4-dien-1-ol?
The canonical SMILES for 3-tributylstannylhexa-3,4-dien-1-ol is CC=C=C(CCO)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of 3-tributylstannylhexa-3,4-dien-1-ol?
The InChIKey is SFWPBEMPKCBZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O.3C4H9.Sn/c1-2-3-4-5-6-7;3*1-3-4-2;/h2,7H,5-6H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of 3-tributylstannylhexa-3,4-dien-1-ol?
3-tributylstannylhexa-3,4-dien-1-ol has a molecular weight of 387.20 g/mol, XLogP of 5.86, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tributylstannylhexa-3,4-dien-1-ol is sourced from PubChem (CID 15122114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).