4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane

C24H34 — CID 565737

IUPAC4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESC1CC2CC1C1C3CC(C4CC5CC4C4C6CCC(C6)C54)C(C3)C21
InChIInChI=1S/C24H34/c1-3-13-5-11(1)21-15-7-17(19(9-15)23(13)21)18-8-16-10-20(18)24-14-4-2-12(6-14)22(16)24/h11-24H,1-10H2
InChIKeyZPBGBMNKUPDPPW-UHFFFAOYSA-N
MW322.54 g/mol
LogP5.62
Rot. Bonds1

About 4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane

4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 565737) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is 4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID565737
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Name4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESC1CC2CC1C1C3CC(C4CC5CC4C4C6CCC(C6)C54)C(C3)C21
InChIInChI=1S/C24H34/c1-3-13-5-11(1)21-15-7-17(19(9-15)23(13)21)18-8-16-10-20(18)24-14-4-2-12(6-14)22(16)24/h11-24H,1-10H2
InChIKeyZPBGBMNKUPDPPW-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane (CID 565737) is 4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane is C1CC2CC1C1C3CC(C4CC5CC4C4C6CCC(C6)C54)C(C3)C21.
What is the InChIKey of 4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is ZPBGBMNKUPDPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34/c1-3-13-5-11(1)21-15-7-17(19(9-15)23(13)21)18-8-16-10-20(18)24-14-4-2-12(6-14)22(16)24/h11-24H,1-10H2.
What are the key properties of 4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane?
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 322.54 g/mol, XLogP of 5.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 565737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).