tributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane

C26H50OSn — CID 134880474

IUPACtributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane
SMILESC=CCCC(CC(OC[Sn](CCCC)(CCCC)CCCC)C(=C)C)C(=C)C
InChIInChI=1S/C14H23O.3C4H9.Sn/c1-7-8-9-13(11(2)3)10-14(15-6)12(4)5;3*1-3-4-2;/h7,13-14H,1-2,4,6,8-10H2,3,5H3;3*1,3-4H2,2H3;
InChIKeyDQAJTIQRARYFNT-UHFFFAOYSA-N
MW497.40 g/mol
LogP8.88
Rot. Bonds19

About tributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane

tributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane (PubChem CID 134880474) has the molecular formula C26H50OSn and a molecular weight of 497.40 g/mol. Its IUPAC name is tributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane.

Molecular Properties

Compound Nametributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane
PubChem CID134880474
Molecular FormulaC26H50OSn
Molecular Weight497.40 g/mol
Exact Mass498.29
IUPAC Nametributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane
SMILESC=CCCC(CC(OC[Sn](CCCC)(CCCC)CCCC)C(=C)C)C(=C)C
InChIInChI=1S/C14H23O.3C4H9.Sn/c1-7-8-9-13(11(2)3)10-14(15-6)12(4)5;3*1-3-4-2;/h7,13-14H,1-2,4,6,8-10H2,3,5H3;3*1,3-4H2,2H3;
InChIKeyDQAJTIQRARYFNT-UHFFFAOYSA-N
XLogP8.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.40
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tributyl(dec-1-en-4-yloxymethyl)stannane
CID 71337213
tributyl(pent-4-enyl)stannane
CID 86003021
3-(bromomethyl)-2-methylhepta-1,6-diene
CID 15714449
8-methyl-5-prop-1-en-2-yldec-1-ene
CID 162195902
(5S,8R)-8-methyl-5-prop-1-en-2-yldec-1-ene
CID 162701561
tributyl-[(1R)-1-(methoxymethoxy)pent-4-enyl]stannane
CID 11774446
ethyl 2-but-3-enylheptanoate
CID 141221895
(5R,6R)-dec-1-ene-5,6-diol
CID 10844929
(5R,6S)-dec-1-ene-5,6-diol
CID 10511398
3-ethyl-2-methyldodec-1-ene
CID 174845873
ethane;hex-1-ene;2-methylprop-1-ene;propane
CID 144528656
hex-1-ene;2-methylbut-1-ene
CID 172686626

Frequently Asked Questions

What is the IUPAC name of tributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane?
The IUPAC name of tributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane (CID 134880474) is tributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane.
What is the SMILES notation for tributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane?
The canonical SMILES for tributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane is C=CCCC(CC(OC[Sn](CCCC)(CCCC)CCCC)C(=C)C)C(=C)C.
What is the InChIKey of tributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane?
The InChIKey is DQAJTIQRARYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O.3C4H9.Sn/c1-7-8-9-13(11(2)3)10-14(15-6)12(4)5;3*1-3-4-2;/h7,13-14H,1-2,4,6,8-10H2,3,5H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane?
tributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane has a molecular weight of 497.40 g/mol, XLogP of 8.88, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane is sourced from PubChem (CID 134880474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).