1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane

C19H38 — CID 123919039

IUPAC1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane
SMILESCC1C(C)C(C)(C)C(C)(C)C(C)CC(C)(C)C1(C)C
InChIInChI=1S/C19H38/c1-13-12-16(4,5)18(8,9)14(2)15(3)19(10,11)17(13,6)7/h13-15H,12H2,1-11H3
InChIKeyGGLFTSZPCJLZTE-UHFFFAOYSA-N
MW266.51 g/mol
LogP6.40
Rot. Bonds

About 1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane

1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane (PubChem CID 123919039) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane.

Molecular Properties

Compound Name1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane
PubChem CID123919039
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane
SMILESCC1C(C)C(C)(C)C(C)(C)C(C)CC(C)(C)C1(C)C
InChIInChI=1S/C19H38/c1-13-12-16(4,5)18(8,9)14(2)15(3)19(10,11)17(13,6)7/h13-15H,12H2,1-11H3
InChIKeyGGLFTSZPCJLZTE-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,2,2,3-tetramethylcyclobutan-1-ol
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(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
CID 162401464
CID 162401464
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
CID 162267024
CID 162267024
1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane
CID 91324406
1,2,2,3-tetramethyl-1-(2-methylpropyl)cyclobutane
CID 123680951
1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane
CID 123829130
1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CID 21348432
1-(1,2-dimethylcyclopropyl)oxy-1,2-dimethylcyclopropane
CID 175071290

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane?
The IUPAC name of 1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane (CID 123919039) is 1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane.
What is the SMILES notation for 1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane?
The canonical SMILES for 1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane is CC1C(C)C(C)(C)C(C)(C)C(C)CC(C)(C)C1(C)C.
What is the InChIKey of 1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane?
The InChIKey is GGLFTSZPCJLZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-13-12-16(4,5)18(8,9)14(2)15(3)19(10,11)17(13,6)7/h13-15H,12H2,1-11H3.
What are the key properties of 1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane?
1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane has a molecular weight of 266.51 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane is sourced from PubChem (CID 123919039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).