1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane

C24H40 — CID 100929224

IUPAC1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane
SMILESCCC12C3(CC)C1(CC)C1(CC)C4(CC)C1(CC)C3(CC)C24CC
InChIInChI=1S/C24H40/c1-9-17-18(10-2)21(17,13-5)22(14-6)19(11-3)20(22,12-4)24(18,16-8)23(17,19)15-7/h9-16H2,1-8H3
InChIKeyDHKNJAMPTLIIOH-UHFFFAOYSA-N
MW328.58 g/mol
LogP7.23
Rot. Bonds8

About 1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane

1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane (PubChem CID 100929224) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane
PubChem CID100929224
Molecular FormulaC24H40
Molecular Weight328.58 g/mol
Exact Mass328.31
IUPAC Name1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane
SMILESCCC12C3(CC)C1(CC)C1(CC)C4(CC)C1(CC)C3(CC)C24CC
InChIInChI=1S/C24H40/c1-9-17-18(10-2)21(17,13-5)22(14-6)19(11-3)20(22,12-4)24(18,16-8)23(17,19)15-7/h9-16H2,1-8H3
InChIKeyDHKNJAMPTLIIOH-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane?
The IUPAC name of 1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane (CID 100929224) is 1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane?
The canonical SMILES for 1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane is CCC12C3(CC)C1(CC)C1(CC)C4(CC)C1(CC)C3(CC)C24CC.
What is the InChIKey of 1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane?
The InChIKey is DHKNJAMPTLIIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40/c1-9-17-18(10-2)21(17,13-5)22(14-6)19(11-3)20(22,12-4)24(18,16-8)23(17,19)15-7/h9-16H2,1-8H3.
What are the key properties of 1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane?
1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane has a molecular weight of 328.58 g/mol, XLogP of 7.23, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane is sourced from PubChem (CID 100929224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).