(2Z)-cyclodec-2-ene-1,1-dicarboxylic acid

C12H18O4 — CID 118323024

IUPAC(2Z)-cyclodec-2-ene-1,1-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)/C=C\CCCCCCC1
InChIInChI=1S/C12H18O4/c13-10(14)12(11(15)16)8-6-4-2-1-3-5-7-9-12/h6,8H,1-5,7,9H2,(H,13,14)(H,15,16)/b8-6-
InChIKeyKBZVXJHBBBWTCX-VURMDHGXSA-N
MW226.27 g/mol
LogP2.44
Rot. Bonds2

About (2Z)-cyclodec-2-ene-1,1-dicarboxylic acid

(2Z)-cyclodec-2-ene-1,1-dicarboxylic acid (PubChem CID 118323024) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (2Z)-cyclodec-2-ene-1,1-dicarboxylic acid.

Molecular Properties

Compound Name(2Z)-cyclodec-2-ene-1,1-dicarboxylic acid
PubChem CID118323024
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(2Z)-cyclodec-2-ene-1,1-dicarboxylic acid
SMILESO=C(O)C1(C(=O)O)/C=C\CCCCCCC1
InChIInChI=1S/C12H18O4/c13-10(14)12(11(15)16)8-6-4-2-1-3-5-7-9-12/h6,8H,1-5,7,9H2,(H,13,14)(H,15,16)/b8-6-
InChIKeyKBZVXJHBBBWTCX-VURMDHGXSA-N
XLogP2.44
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclonon-2-ene-1,1-dicarboxylic acid
CID 154315592
(1Z)-3,3-difluorocyclooctene
CID 129263045
carbonic acid;cyclooctene
CID 161186055
(2Z)-1-fluorocyclooct-2-ene-1-thiol
CID 174305731
3-fluoro-3-methylcyclooctene
CID 154031859
diethyl cyclohex-2-ene-1,1-dicarboxylate
CID 10944145
1-(1-acetylcyclopent-2-en-1-yl)ethanone
CID 45085922
(2E)-1-ethynylcyclododec-2-en-1-ol
CID 134887616
cyclohexane-1,1-dicarboxylic acid
CID 70539849
acetic acid;cyclohexene
CID 20501047
cyclooctane-1,1-dicarboxylic acid
CID 18521139
cyclotritriacontane-1,1,12,12,23,23-hexacarboxylic acid
CID 132573281

Frequently Asked Questions

What is the IUPAC name of (2Z)-cyclodec-2-ene-1,1-dicarboxylic acid?
The IUPAC name of (2Z)-cyclodec-2-ene-1,1-dicarboxylic acid (CID 118323024) is (2Z)-cyclodec-2-ene-1,1-dicarboxylic acid.
What is the SMILES notation for (2Z)-cyclodec-2-ene-1,1-dicarboxylic acid?
The canonical SMILES for (2Z)-cyclodec-2-ene-1,1-dicarboxylic acid is O=C(O)C1(C(=O)O)/C=C\CCCCCCC1.
What is the InChIKey of (2Z)-cyclodec-2-ene-1,1-dicarboxylic acid?
The InChIKey is KBZVXJHBBBWTCX-VURMDHGXSA-N. The full InChI is InChI=1S/C12H18O4/c13-10(14)12(11(15)16)8-6-4-2-1-3-5-7-9-12/h6,8H,1-5,7,9H2,(H,13,14)(H,15,16)/b8-6-.
What are the key properties of (2Z)-cyclodec-2-ene-1,1-dicarboxylic acid?
(2Z)-cyclodec-2-ene-1,1-dicarboxylic acid has a molecular weight of 226.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-cyclodec-2-ene-1,1-dicarboxylic acid is sourced from PubChem (CID 118323024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).