1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid)

C32H58O4 — CID 23500155

IUPAC1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CC1CCCCCCCCCC1(C)C1CCCCCCCCCC1
InChIInChI=1S/C24H46.2C4H6O2/c1-22-18-14-10-6-5-9-13-17-21-24(22,2)23-19-15-11-7-3-4-8-12-16-20-23;2*1-3(2)4(5)6/h22-23H,3-21H2,1-2H3;2*1H2,2H3,(H,5,6)
InChIKeyHVKFUDKHQRBNBM-UHFFFAOYSA-N
MW506.81 g/mol
LogP9.98
Rot. Bonds3

About 1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid)

1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid) (PubChem CID 23500155) has the molecular formula C32H58O4 and a molecular weight of 506.81 g/mol. Its IUPAC name is 1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid)
PubChem CID23500155
Molecular FormulaC32H58O4
Molecular Weight506.81 g/mol
Exact Mass506.43
IUPAC Name1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CC1CCCCCCCCCC1(C)C1CCCCCCCCCC1
InChIInChI=1S/C24H46.2C4H6O2/c1-22-18-14-10-6-5-9-13-17-21-24(22,2)23-19-15-11-7-3-4-8-12-16-20-23;2*1-3(2)4(5)6/h22-23H,3-21H2,1-2H3;2*1H2,2H3,(H,5,6)
InChIKeyHVKFUDKHQRBNBM-UHFFFAOYSA-N
XLogP9.98
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.81
LogP ≤ 59.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid) (CID 23500155) is 1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.CC1CCCCCCCCCC1(C)C1CCCCCCCCCC1.
What is the InChIKey of 1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid)?
The InChIKey is HVKFUDKHQRBNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46.2C4H6O2/c1-22-18-14-10-6-5-9-13-17-21-24(22,2)23-19-15-11-7-3-4-8-12-16-20-23;2*1-3(2)4(5)6/h22-23H,3-21H2,1-2H3;2*1H2,2H3,(H,5,6).
What are the key properties of 1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid)?
1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid) has a molecular weight of 506.81 g/mol, XLogP of 9.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloundecyl-1,2-dimethylcycloundecane;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 23500155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).