cyclooctylcyclooctane;2-methylprop-2-enoic acid

C20H36O2 — CID 22186221

IUPACcyclooctylcyclooctane;2-methylprop-2-enoic acid
SMILESC1CCCC(C2CCCCCCC2)CCC1.C=C(C)C(=O)O
InChIInChI=1S/C16H30.C4H6O2/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16;1-3(2)4(5)6/h15-16H,1-14H2;1H2,2H3,(H,5,6)
InChIKeyFRBVPWFUGWQIRS-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.35
Rot. Bonds2

About cyclooctylcyclooctane;2-methylprop-2-enoic acid

cyclooctylcyclooctane;2-methylprop-2-enoic acid (PubChem CID 22186221) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is cyclooctylcyclooctane;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namecyclooctylcyclooctane;2-methylprop-2-enoic acid
PubChem CID22186221
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Namecyclooctylcyclooctane;2-methylprop-2-enoic acid
SMILESC1CCCC(C2CCCCCCC2)CCC1.C=C(C)C(=O)O
InChIInChI=1S/C16H30.C4H6O2/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16;1-3(2)4(5)6/h15-16H,1-14H2;1H2,2H3,(H,5,6)
InChIKeyFRBVPWFUGWQIRS-UHFFFAOYSA-N
XLogP6.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclooctylcyclooctane;2-methylprop-2-enoic acid?
The IUPAC name of cyclooctylcyclooctane;2-methylprop-2-enoic acid (CID 22186221) is cyclooctylcyclooctane;2-methylprop-2-enoic acid.
What is the SMILES notation for cyclooctylcyclooctane;2-methylprop-2-enoic acid?
The canonical SMILES for cyclooctylcyclooctane;2-methylprop-2-enoic acid is C1CCCC(C2CCCCCCC2)CCC1.C=C(C)C(=O)O.
What is the InChIKey of cyclooctylcyclooctane;2-methylprop-2-enoic acid?
The InChIKey is FRBVPWFUGWQIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30.C4H6O2/c1-3-7-11-15(12-8-4-1)16-13-9-5-2-6-10-14-16;1-3(2)4(5)6/h15-16H,1-14H2;1H2,2H3,(H,5,6).
What are the key properties of cyclooctylcyclooctane;2-methylprop-2-enoic acid?
cyclooctylcyclooctane;2-methylprop-2-enoic acid has a molecular weight of 308.51 g/mol, XLogP of 6.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctylcyclooctane;2-methylprop-2-enoic acid is sourced from PubChem (CID 22186221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).