dimethyl (Z)-2-butylbut-2-enedioate

C10H16O4 — CID 11019879

IUPACdimethyl (Z)-2-butylbut-2-enedioate
SMILESCCCC/C(=C/C(=O)OC)C(=O)OC
InChIInChI=1S/C10H16O4/c1-4-5-6-8(10(12)14-3)7-9(11)13-2/h7H,4-6H2,1-3H3/b8-7-
InChIKeyORLKEYRZGMSXMF-FPLPWBNLSA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds5

About dimethyl (Z)-2-butylbut-2-enedioate

dimethyl (Z)-2-butylbut-2-enedioate (PubChem CID 11019879) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is dimethyl (Z)-2-butylbut-2-enedioate.

Molecular Properties

Compound Namedimethyl (Z)-2-butylbut-2-enedioate
PubChem CID11019879
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namedimethyl (Z)-2-butylbut-2-enedioate
SMILESCCCC/C(=C/C(=O)OC)C(=O)OC
InChIInChI=1S/C10H16O4/c1-4-5-6-8(10(12)14-3)7-9(11)13-2/h7H,4-6H2,1-3H3/b8-7-
InChIKeyORLKEYRZGMSXMF-FPLPWBNLSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl (Z)-2-butylbut-2-enedioate?
The IUPAC name of dimethyl (Z)-2-butylbut-2-enedioate (CID 11019879) is dimethyl (Z)-2-butylbut-2-enedioate.
What is the SMILES notation for dimethyl (Z)-2-butylbut-2-enedioate?
The canonical SMILES for dimethyl (Z)-2-butylbut-2-enedioate is CCCC/C(=C/C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (Z)-2-butylbut-2-enedioate?
The InChIKey is ORLKEYRZGMSXMF-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-5-6-8(10(12)14-3)7-9(11)13-2/h7H,4-6H2,1-3H3/b8-7-.
What are the key properties of dimethyl (Z)-2-butylbut-2-enedioate?
dimethyl (Z)-2-butylbut-2-enedioate has a molecular weight of 200.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z)-2-butylbut-2-enedioate is sourced from PubChem (CID 11019879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).