butane;dibutyl (Z)-but-2-enedioate;λ2-stannane

C16H32O4Sn — CID 173106858

IUPACbutane;dibutyl (Z)-but-2-enedioate;λ2-stannane
SMILESCCCC.CCCCOC(=O)/C=C\C(=O)OCCCC.[SnH2]
InChIInChI=1S/C12H20O4.C4H10.Sn.2H/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2;1-3-4-2;;;/h7-8H,3-6,9-10H2,1-2H3;3-4H2,1-2H3;;;/b8-7-;;;;
InChIKeyVJUPZMMIPHQHQR-LIIRSGIESA-N
MW407.14 g/mol
LogP3.12
Rot. Bonds9

About butane;dibutyl (Z)-but-2-enedioate;λ2-stannane

butane;dibutyl (Z)-but-2-enedioate;λ2-stannane (PubChem CID 173106858) has the molecular formula C16H32O4Sn and a molecular weight of 407.14 g/mol. Its IUPAC name is butane;dibutyl (Z)-but-2-enedioate;λ2-stannane.

Molecular Properties

Compound Namebutane;dibutyl (Z)-but-2-enedioate;λ2-stannane
PubChem CID173106858
Molecular FormulaC16H32O4Sn
Molecular Weight407.14 g/mol
Exact Mass408.13
IUPAC Namebutane;dibutyl (Z)-but-2-enedioate;λ2-stannane
SMILESCCCC.CCCCOC(=O)/C=C\C(=O)OCCCC.[SnH2]
InChIInChI=1S/C12H20O4.C4H10.Sn.2H/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2;1-3-4-2;;;/h7-8H,3-6,9-10H2,1-2H3;3-4H2,1-2H3;;;/b8-7-;;;;
InChIKeyVJUPZMMIPHQHQR-LIIRSGIESA-N
XLogP3.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.14
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 57489595
CID 57489595
1-O-butyl 4-O-octyl (E)-but-2-enedioate
CID 22719393
butyl (E)-4-[(E)-4-butoxy-4-oxobut-2-enoyl]peroxy-4-oxobut-2-enoate
CID 139958378
dihexyl (Z)-but-2-enedioate;λ2-stannane
CID 174493424
dibutyl (Z)-but-2-enedioate;ethane-1,2-diol
CID 175061979
(Z)-4-butoxy-4-oxobut-2-enoic acid
CID 175730618
4-O-[2-[2-(4-butoxy-4-oxobut-2-enoyl)oxyethoxy]ethyl] 1-O-butyl but-2-enedioate
CID 54354439
1-O-butyl 4-O-(2-methoxyethyl) (Z)-but-2-enedioate
CID 87125961
4-O-hexyl 1-O-pentyl (E)-but-2-enedioate
CID 91709768
dioctyl but-2-enedioate
CID 18011
didodecyl (Z)-but-2-enedioate
CID 5354846
dihexyl (Z)-but-2-enedioate
CID 5271573

Frequently Asked Questions

What is the IUPAC name of butane;dibutyl (Z)-but-2-enedioate;λ2-stannane?
The IUPAC name of butane;dibutyl (Z)-but-2-enedioate;λ2-stannane (CID 173106858) is butane;dibutyl (Z)-but-2-enedioate;λ2-stannane.
What is the SMILES notation for butane;dibutyl (Z)-but-2-enedioate;λ2-stannane?
The canonical SMILES for butane;dibutyl (Z)-but-2-enedioate;λ2-stannane is CCCC.CCCCOC(=O)/C=C\C(=O)OCCCC.[SnH2].
What is the InChIKey of butane;dibutyl (Z)-but-2-enedioate;λ2-stannane?
The InChIKey is VJUPZMMIPHQHQR-LIIRSGIESA-N. The full InChI is InChI=1S/C12H20O4.C4H10.Sn.2H/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2;1-3-4-2;;;/h7-8H,3-6,9-10H2,1-2H3;3-4H2,1-2H3;;;/b8-7-;;;;.
What are the key properties of butane;dibutyl (Z)-but-2-enedioate;λ2-stannane?
butane;dibutyl (Z)-but-2-enedioate;λ2-stannane has a molecular weight of 407.14 g/mol, XLogP of 3.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;dibutyl (Z)-but-2-enedioate;λ2-stannane is sourced from PubChem (CID 173106858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).