(2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid

C18H26O4 — CID 22639875

IUPAC(2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid
SMILESO=C(O)/C1=C(C2=C\CCCCCC\2)/CCCCCC1C(=O)O
InChIInChI=1S/C18H26O4/c19-17(20)15-12-8-4-7-11-14(16(15)18(21)22)13-9-5-2-1-3-6-10-13/h9,15H,1-8,10-12H2,(H,19,20)(H,21,22)/b13-9+,16-14-
InChIKeyWOOCYHCHKGENIL-RHOXIIILSA-N
MW306.40 g/mol
LogP4.31
Rot. Bonds3

About (2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid

(2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid (PubChem CID 22639875) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is (2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid
PubChem CID22639875
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name(2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid
SMILESO=C(O)/C1=C(C2=C\CCCCCC\2)/CCCCCC1C(=O)O
InChIInChI=1S/C18H26O4/c19-17(20)15-12-8-4-7-11-14(16(15)18(21)22)13-9-5-2-1-3-6-10-13/h9,15H,1-8,10-12H2,(H,19,20)(H,21,22)/b13-9+,16-14-
InChIKeyWOOCYHCHKGENIL-RHOXIIILSA-N
XLogP4.31
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1Z)-cyclooctene-1,2,3-tricarboxylic acid
CID 121331499
1-(cycloocten-1-yl)-2-methyl-3-propan-2-ylcyclooctene
CID 174620959
3-(cyclohepten-1-yl)-1-methylcyclohept-2-ene-1,2-dicarboxylic acid
CID 19049643
2-(cyclohexen-1-yl)cyclohexene-1-carboxylate
CID 22364197
2-oxocyclodecane-1-carboxylic acid
CID 123244832
1-(cyclodecen-1-yl)cyclodecene
CID 54296371
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
4-(cyclohepten-1-yl)-6,7,8,8a-tetrahydro-5H-cyclohepta[c]furan-1,3-dione
CID 54481055
3-bromo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxylic acid
CID 135394785
1-(cyclopenten-1-yl)cyclooctene
CID 91463872
2-(cyclohexen-1-yl)bicyclo[2.2.1]hept-1-ene
CID 19099788
(3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane
CID 142404527

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid?
The IUPAC name of (2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid (CID 22639875) is (2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid.
What is the SMILES notation for (2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid?
The canonical SMILES for (2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid is O=C(O)/C1=C(C2=C\CCCCCC\2)/CCCCCC1C(=O)O.
What is the InChIKey of (2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid?
The InChIKey is WOOCYHCHKGENIL-RHOXIIILSA-N. The full InChI is InChI=1S/C18H26O4/c19-17(20)15-12-8-4-7-11-14(16(15)18(21)22)13-9-5-2-1-3-6-10-13/h9,15H,1-8,10-12H2,(H,19,20)(H,21,22)/b13-9+,16-14-.
What are the key properties of (2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid?
(2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid has a molecular weight of 306.40 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(1E)-cycloocten-1-yl]cyclooct-2-ene-1,2-dicarboxylic acid is sourced from PubChem (CID 22639875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).