dipropyl (Z)-2-iodobut-2-enedioate

C10H15IO4 — CID 5359092

IUPACdipropyl (Z)-2-iodobut-2-enedioate
SMILESCCCOC(=O)/C=C(\I)C(=O)OCCC
InChIInChI=1S/C10H15IO4/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2/h7H,3-6H2,1-2H3/b8-7-
InChIKeySCIDWFGUFNINMC-FPLPWBNLSA-N
MW326.13 g/mol
LogP2.21
Rot. Bonds6

About dipropyl (Z)-2-iodobut-2-enedioate

dipropyl (Z)-2-iodobut-2-enedioate (PubChem CID 5359092) has the molecular formula C10H15IO4 and a molecular weight of 326.13 g/mol. Its IUPAC name is dipropyl (Z)-2-iodobut-2-enedioate.

Molecular Properties

Compound Namedipropyl (Z)-2-iodobut-2-enedioate
PubChem CID5359092
Molecular FormulaC10H15IO4
Molecular Weight326.13 g/mol
Exact Mass326.00
IUPAC Namedipropyl (Z)-2-iodobut-2-enedioate
SMILESCCCOC(=O)/C=C(\I)C(=O)OCCC
InChIInChI=1S/C10H15IO4/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2/h7H,3-6H2,1-2H3/b8-7-
InChIKeySCIDWFGUFNINMC-FPLPWBNLSA-N
XLogP2.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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

dibutyl (E)-2-iodobut-2-enedioate
CID 87924645
1-O-methyl 4-O-propyl 2-methylbut-2-enedioate
CID 175490226
dipropyl 2-pent-1-enylbut-2-enedioate
CID 151419690
ethenoxyethene;propyl prop-2-enoate
CID 174744389
(Z)-2-methyl-4-oxo-4-propoxybut-2-enoic acid
CID 87197934
1-O-dodecyl 4-O-hexadecyl 2-hexadecylbut-2-enedioate
CID 173374288
carbamic acid;propyl prop-2-enoate
CID 87571569
diethyl (E)-2-propoxybut-2-enedioate
CID 177435728
propyl (Z)-3-amino-4-methoxybut-2-enoate
CID 88823275
1-O-ethyl 2-O-propyl oxalate
CID 6420312
propyl 3-aminoprop-2-enoate
CID 154061664
propyl (E)-3-nitrobut-2-enoate
CID 71606784

Frequently Asked Questions

What is the IUPAC name of dipropyl (Z)-2-iodobut-2-enedioate?
The IUPAC name of dipropyl (Z)-2-iodobut-2-enedioate (CID 5359092) is dipropyl (Z)-2-iodobut-2-enedioate.
What is the SMILES notation for dipropyl (Z)-2-iodobut-2-enedioate?
The canonical SMILES for dipropyl (Z)-2-iodobut-2-enedioate is CCCOC(=O)/C=C(\I)C(=O)OCCC.
What is the InChIKey of dipropyl (Z)-2-iodobut-2-enedioate?
The InChIKey is SCIDWFGUFNINMC-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H15IO4/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2/h7H,3-6H2,1-2H3/b8-7-.
What are the key properties of dipropyl (Z)-2-iodobut-2-enedioate?
dipropyl (Z)-2-iodobut-2-enedioate has a molecular weight of 326.13 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl (Z)-2-iodobut-2-enedioate is sourced from PubChem (CID 5359092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).