dipropan-2-yl (Z)-2-iodobut-2-enedioate

C10H15IO4 — CID 87641427

IUPACdipropan-2-yl (Z)-2-iodobut-2-enedioate
SMILESCC(C)OC(=O)/C=C(\I)C(=O)OC(C)C
InChIInChI=1S/C10H15IO4/c1-6(2)14-9(12)5-8(11)10(13)15-7(3)4/h5-7H,1-4H3/b8-5-
InChIKeyYLOQGTYHFGQFPB-YVMONPNESA-N
MW326.13 g/mol
LogP2.21
Rot. Bonds4

About dipropan-2-yl (Z)-2-iodobut-2-enedioate

dipropan-2-yl (Z)-2-iodobut-2-enedioate (PubChem CID 87641427) has the molecular formula C10H15IO4 and a molecular weight of 326.13 g/mol. Its IUPAC name is dipropan-2-yl (Z)-2-iodobut-2-enedioate.

Molecular Properties

Compound Namedipropan-2-yl (Z)-2-iodobut-2-enedioate
PubChem CID87641427
Molecular FormulaC10H15IO4
Molecular Weight326.13 g/mol
Exact Mass326.00
IUPAC Namedipropan-2-yl (Z)-2-iodobut-2-enedioate
SMILESCC(C)OC(=O)/C=C(\I)C(=O)OC(C)C
InChIInChI=1S/C10H15IO4/c1-6(2)14-9(12)5-8(11)10(13)15-7(3)4/h5-7H,1-4H3/b8-5-
InChIKeyYLOQGTYHFGQFPB-YVMONPNESA-N
XLogP2.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 14616838
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CID 70676166
(Z)-3-methyl-4-oxo-4-propan-2-yloxybut-2-enoic acid
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1-O-(2-methoxy-2-oxoethyl) 4-O-propan-2-yl (Z)-2-methylbut-2-enedioate
CID 139903610
butane;dipropan-2-yl (E)-but-2-enedioate
CID 90185025
propan-2-yl 3-methylhept-2-enoate
CID 123660436
propan-2-yl (Z)-2-hydroxy-5,5-dimethyl-4-oxohex-2-enoate
CID 101400932
4-O-(1-iodopropan-2-yl) 1-O-propan-2-yl (Z)-but-2-enedioate
CID 174154485
propan-2-yl 4-chloro-4-oxobut-2-enoate
CID 71363226
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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl (Z)-2-iodobut-2-enedioate?
The IUPAC name of dipropan-2-yl (Z)-2-iodobut-2-enedioate (CID 87641427) is dipropan-2-yl (Z)-2-iodobut-2-enedioate.
What is the SMILES notation for dipropan-2-yl (Z)-2-iodobut-2-enedioate?
The canonical SMILES for dipropan-2-yl (Z)-2-iodobut-2-enedioate is CC(C)OC(=O)/C=C(\I)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl (Z)-2-iodobut-2-enedioate?
The InChIKey is YLOQGTYHFGQFPB-YVMONPNESA-N. The full InChI is InChI=1S/C10H15IO4/c1-6(2)14-9(12)5-8(11)10(13)15-7(3)4/h5-7H,1-4H3/b8-5-.
What are the key properties of dipropan-2-yl (Z)-2-iodobut-2-enedioate?
dipropan-2-yl (Z)-2-iodobut-2-enedioate has a molecular weight of 326.13 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (Z)-2-iodobut-2-enedioate is sourced from PubChem (CID 87641427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).