3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid

C23H34O4 — CID 54219643

IUPAC3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(CC)C(C(=O)OC2CC3CC2C2C4CCC(C4)C32)C1C(=O)O
InChIInChI=1S/C23H34O4/c1-3-11-7-12(4-2)21(20(11)22(24)25)23(26)27-17-10-15-9-16(17)19-14-6-5-13(8-14)18(15)19/h11-21H,3-10H2,1-2H3,(H,24,25)
InChIKeyQBQVFCXRTSOKNH-UHFFFAOYSA-N
MW374.52 g/mol
LogP4.37
Rot. Bonds5

About 3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid

3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid (PubChem CID 54219643) has the molecular formula C23H34O4 and a molecular weight of 374.52 g/mol. Its IUPAC name is 3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid
PubChem CID54219643
Molecular FormulaC23H34O4
Molecular Weight374.52 g/mol
Exact Mass374.25
IUPAC Name3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid
SMILESCCC1CC(CC)C(C(=O)OC2CC3CC2C2C4CCC(C4)C32)C1C(=O)O
InChIInChI=1S/C23H34O4/c1-3-11-7-12(4-2)21(20(11)22(24)25)23(26)27-17-10-15-9-16(17)19-14-6-5-13(8-14)18(15)19/h11-21H,3-10H2,1-2H3,(H,24,25)
InChIKeyQBQVFCXRTSOKNH-UHFFFAOYSA-N
XLogP4.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid (CID 54219643) is 3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid is CCC1CC(CC)C(C(=O)OC2CC3CC2C2C4CCC(C4)C32)C1C(=O)O.
What is the InChIKey of 3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is QBQVFCXRTSOKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O4/c1-3-11-7-12(4-2)21(20(11)22(24)25)23(26)27-17-10-15-9-16(17)19-14-6-5-13(8-14)18(15)19/h11-21H,3-10H2,1-2H3,(H,24,25).
What are the key properties of 3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid?
3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 374.52 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54219643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).