1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid

C16H26O2 — CID 114228097

IUPAC1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(C2/C=C\CCCCC2)C1
InChIInChI=1S/C16H26O2/c1-2-13-10-11-16(12-13,15(17)18)14-8-6-4-3-5-7-9-14/h6,8,13-14H,2-5,7,9-12H2,1H3,(H,17,18)/b8-6-
InChIKeyICXWZIDYCAKBIJ-VURMDHGXSA-N
MW250.38 g/mol
LogP4.40
Rot. Bonds3

About 1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid

1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid (PubChem CID 114228097) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid
PubChem CID114228097
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(C2/C=C\CCCCC2)C1
InChIInChI=1S/C16H26O2/c1-2-13-10-11-16(12-13,15(17)18)14-8-6-4-3-5-7-9-14/h6,8,13-14H,2-5,7,9-12H2,1H3,(H,17,18)/b8-6-
InChIKeyICXWZIDYCAKBIJ-VURMDHGXSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid
CID 114620874
1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid
CID 114620879
3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid
CID 79429347
1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid
CID 114620507
3-cyclohex-2-en-1-yl-8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 58695815
1-(1-carboxycyclohexyl)-4-ethylcyclohexane-1-carboxylic acid
CID 70366227
1-(4-ethylcyclohexyl)cycloheptane-1-carboxylic acid
CID 79428746
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid
CID 79923331
1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid
CID 79428277
4-butyl-1-cycloheptylcyclohexane-1-carboxylic acid
CID 82929194
1-(3-ethylcyclohexyl)-4-methylcyclohexane-1-carboxylic acid
CID 79425098
1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid
CID 79425993

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid (CID 114228097) is 1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid is CCC1CCC(C(=O)O)(C2/C=C\CCCCC2)C1.
What is the InChIKey of 1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid?
The InChIKey is ICXWZIDYCAKBIJ-VURMDHGXSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-13-10-11-16(12-13,15(17)18)14-8-6-4-3-5-7-9-14/h6,8,13-14H,2-5,7,9-12H2,1H3,(H,17,18)/b8-6-.
What are the key properties of 1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid?
1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid has a molecular weight of 250.38 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114228097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).