(Z)-but-2-enedioic acid;hex-1-ene

C10H16O4 — CID 88803963

IUPAC(Z)-but-2-enedioic acid;hex-1-ene
SMILESC=CCCCC.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C6H12.C4H4O4/c1-3-5-6-4-2;5-3(6)1-2-4(7)8/h3H,1,4-6H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyGJJWCENBMJAIHZ-BTJKTKAUSA-N
MW200.23 g/mol
LogP2.07
Rot. Bonds5

About (Z)-but-2-enedioic acid;hex-1-ene

(Z)-but-2-enedioic acid;hex-1-ene (PubChem CID 88803963) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;hex-1-ene.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;hex-1-ene
PubChem CID88803963
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(Z)-but-2-enedioic acid;hex-1-ene
SMILESC=CCCCC.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C6H12.C4H4O4/c1-3-5-6-4-2;5-3(6)1-2-4(7)8/h3H,1,4-6H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyGJJWCENBMJAIHZ-BTJKTKAUSA-N
XLogP2.07
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-but-2-enedioic acid;hex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;ethene;hex-1-ene
CID 174309563
acetic acid;oct-1-ene
CID 159976970
acetic acid;octadec-1-ene;zinc
CID 175392389
but-1-ene;(Z)-but-2-enedioic acid
CID 88615133
but-2-enedioic acid;undecane
CID 157202832
hex-1-ene;zinc
CID 174554611
acetic acid;(8Z)-tetradeca-1,8-diene
CID 175396356
benzene;buta-1,3-diene;hex-1-ene
CID 159461110
but-1-ene;hexakis(hex-1-ene)
CID 161273113
hex-1-ene;zirconium(4+);dichloride
CID 157382882
but-1-ene;tetrakis(hex-1-ene)
CID 22000755
CID 158204021
CID 158204021

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;hex-1-ene?
The IUPAC name of (Z)-but-2-enedioic acid;hex-1-ene (CID 88803963) is (Z)-but-2-enedioic acid;hex-1-ene.
What is the SMILES notation for (Z)-but-2-enedioic acid;hex-1-ene?
The canonical SMILES for (Z)-but-2-enedioic acid;hex-1-ene is C=CCCCC.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;hex-1-ene?
The InChIKey is GJJWCENBMJAIHZ-BTJKTKAUSA-N. The full InChI is InChI=1S/C6H12.C4H4O4/c1-3-5-6-4-2;5-3(6)1-2-4(7)8/h3H,1,4-6H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;hex-1-ene?
(Z)-but-2-enedioic acid;hex-1-ene has a molecular weight of 200.23 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;hex-1-ene is sourced from PubChem (CID 88803963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).