1,1,2,7-tetramethylcyclooctane

C12H24 — CID 141451493

IUPAC1,1,2,7-tetramethylcyclooctane
SMILESCC1CCCCC(C)C(C)(C)C1
InChIInChI=1S/C12H24/c1-10-7-5-6-8-11(2)12(3,4)9-10/h10-11H,5-9H2,1-4H3
InChIKeyLGACJWLEDUFKQY-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds

About 1,1,2,7-tetramethylcyclooctane

1,1,2,7-tetramethylcyclooctane (PubChem CID 141451493) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,1,2,7-tetramethylcyclooctane.

Molecular Properties

Compound Name1,1,2,7-tetramethylcyclooctane
PubChem CID141451493
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,1,2,7-tetramethylcyclooctane
SMILESCC1CCCCC(C)C(C)(C)C1
InChIInChI=1S/C12H24/c1-10-7-5-6-8-11(2)12(3,4)9-10/h10-11H,5-9H2,1-4H3
InChIKeyLGACJWLEDUFKQY-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123968014
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1,1,2-trimethylcycloundecane
CID 544748
(3,3,4,8-tetramethylcyclononyl)methanamine
CID 129058588
N-(3,3,4-trimethylcyclopentyl)cyclohexanamine
CID 170208159
trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane
CID 6427704
methanol;1,1,2-trimethylcyclohexane
CID 70292509
1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane
CID 173230586
methylcyclopentane
CID 7296
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(1,3-dimethylcyclobutyl)cyclopentane
CID 146720306
methylcyclohexane;phosphane;pentahydrochloride
CID 174057866

Frequently Asked Questions

What is the IUPAC name of 1,1,2,7-tetramethylcyclooctane?
The IUPAC name of 1,1,2,7-tetramethylcyclooctane (CID 141451493) is 1,1,2,7-tetramethylcyclooctane.
What is the SMILES notation for 1,1,2,7-tetramethylcyclooctane?
The canonical SMILES for 1,1,2,7-tetramethylcyclooctane is CC1CCCCC(C)C(C)(C)C1.
What is the InChIKey of 1,1,2,7-tetramethylcyclooctane?
The InChIKey is LGACJWLEDUFKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-10-7-5-6-8-11(2)12(3,4)9-10/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,1,2,7-tetramethylcyclooctane?
1,1,2,7-tetramethylcyclooctane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,7-tetramethylcyclooctane is sourced from PubChem (CID 141451493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).