1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane

C16H30 — CID 173230586

IUPAC1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane
SMILESCC1CCCC(C)(C2(C)CCCCC2C)C1
InChIInChI=1S/C16H30/c1-13-8-7-10-15(3,12-13)16(4)11-6-5-9-14(16)2/h13-14H,5-12H2,1-4H3
InChIKeyQYMHGQYQNRVTAM-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.42
Rot. Bonds1

About 1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane

1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane (PubChem CID 173230586) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane.

Molecular Properties

Compound Name1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane
PubChem CID173230586
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane
SMILESCC1CCCC(C)(C2(C)CCCCC2C)C1
InChIInChI=1S/C16H30/c1-13-8-7-10-15(3,12-13)16(4)11-6-5-9-14(16)2/h13-14H,5-12H2,1-4H3
InChIKeyQYMHGQYQNRVTAM-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,2,7-tetramethylcyclooctane
CID 141451493
1,1,2,8-tetramethylcyclononane
CID 123968014
1-(1,2-dimethylcyclohexyl)cyclohexan-1-amine
CID 67782640
1,1,5-trimethylcycloundecane
CID 161434950
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
1,1,5,8-tetramethylcyclotetradecane
CID 143796202
cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine
CID 55288298
(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
CID 3032717
(1,3-dimethylcyclodecyl)phosphane
CID 146213470
1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane
CID 175121766
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane?
The IUPAC name of 1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane (CID 173230586) is 1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane.
What is the SMILES notation for 1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane?
The canonical SMILES for 1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane is CC1CCCC(C)(C2(C)CCCCC2C)C1.
What is the InChIKey of 1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane?
The InChIKey is QYMHGQYQNRVTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-13-8-7-10-15(3,12-13)16(4)11-6-5-9-14(16)2/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane?
1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane has a molecular weight of 222.42 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane is sourced from PubChem (CID 173230586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).