(4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid

C19H30O4 — CID 159876089

IUPAC(4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid
SMILESCC1(C(=O)O)CC/C=C\CCC1.O=C(O)C1CC/C=C\CCC1
InChIInChI=1S/C10H16O2.C9H14O2/c1-10(9(11)12)7-5-3-2-4-6-8-10;10-9(11)8-6-4-2-1-3-5-7-8/h2-3H,4-8H2,1H3,(H,11,12);1-2,8H,3-7H2,(H,10,11)/b3-2-;2-1-
InChIKeyNSXRANKSZAOCQP-FGRDZWBJSA-N
MW322.45 g/mol
LogP4.81
Rot. Bonds2

About (4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid

(4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid (PubChem CID 159876089) has the molecular formula C19H30O4 and a molecular weight of 322.45 g/mol. Its IUPAC name is (4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid.

Molecular Properties

Compound Name(4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid
PubChem CID159876089
Molecular FormulaC19H30O4
Molecular Weight322.45 g/mol
Exact Mass322.21
IUPAC Name(4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid
SMILESCC1(C(=O)O)CC/C=C\CCC1.O=C(O)C1CC/C=C\CCC1
InChIInChI=1S/C10H16O2.C9H14O2/c1-10(9(11)12)7-5-3-2-4-6-8-10;10-9(11)8-6-4-2-1-3-5-7-8/h2-3H,4-8H2,1H3,(H,11,12);1-2,8H,3-7H2,(H,10,11)/b3-2-;2-1-
InChIKeyNSXRANKSZAOCQP-FGRDZWBJSA-N
XLogP4.81
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,4Z,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid;bis((1S,4E,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid);(1R,4Z,6R)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid;bis((1R,4E,6R)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylic acid)
CID 167557842
1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone
CID 15875364
cyclopentanecarboxylic acid
CID 18840
cyclodec-3-ene-1-carboxylic acid
CID 68707781
cyclopentanecarboxylic acid;indigane
CID 173230713
cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543
4-[[(4Z)-cyclooct-4-ene-1-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166251829
4-chloro-1-methylcyclohexane-1-carboxylic acid
CID 12547623
1,6,6-trimethylcycloundecane-1-carboxylic acid
CID 70908763

Frequently Asked Questions

What is the IUPAC name of (4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid?
The IUPAC name of (4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid (CID 159876089) is (4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid.
What is the SMILES notation for (4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid?
The canonical SMILES for (4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid is CC1(C(=O)O)CC/C=C\CCC1.O=C(O)C1CC/C=C\CCC1.
What is the InChIKey of (4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid?
The InChIKey is NSXRANKSZAOCQP-FGRDZWBJSA-N. The full InChI is InChI=1S/C10H16O2.C9H14O2/c1-10(9(11)12)7-5-3-2-4-6-8-10;10-9(11)8-6-4-2-1-3-5-7-8/h2-3H,4-8H2,1H3,(H,11,12);1-2,8H,3-7H2,(H,10,11)/b3-2-;2-1-.
What are the key properties of (4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid?
(4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid has a molecular weight of 322.45 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-cyclooct-4-ene-1-carboxylic acid;(4Z)-1-methylcyclooct-4-ene-1-carboxylic acid is sourced from PubChem (CID 159876089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).