1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane

C24H48 — CID 23565910

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane
SMILESCC1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C24H48/c1-17(2)18(3,4)20(7,8)22(11,12)24(15,16)23(13,14)21(9,10)19(17,5)6/h1-16H3
InChIKeyMVZBHOBBEKXTLL-UHFFFAOYSA-N
MW336.65 g/mol
LogP8.21
Rot. Bonds

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane (PubChem CID 23565910) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane
PubChem CID23565910
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane
SMILESCC1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C24H48/c1-17(2)18(3,4)20(7,8)22(11,12)24(15,16)23(13,14)21(9,10)19(17,5)6/h1-16H3
InChIKeyMVZBHOBBEKXTLL-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane (CID 23565910) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane is CC1(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane?
The InChIKey is MVZBHOBBEKXTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-17(2)18(3,4)20(7,8)22(11,12)24(15,16)23(13,14)21(9,10)19(17,5)6/h1-16H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane has a molecular weight of 336.65 g/mol, XLogP of 8.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecamethylcyclooctane is sourced from PubChem (CID 23565910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).