1,2-dimethylcyclohexane;2-methylpropane

C12H26 — CID 143562785

IUPAC1,2-dimethylcyclohexane;2-methylpropane
SMILESCC(C)C.CC1CCCCC1C
InChIInChI=1S/C8H16.C4H10/c1-7-5-3-4-6-8(7)2;1-4(2)3/h7-8H,3-6H2,1-2H3;4H,1-3H3
InChIKeyRVWAQIOHTNXLQO-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.49
Rot. Bonds

About 1,2-dimethylcyclohexane;2-methylpropane

1,2-dimethylcyclohexane;2-methylpropane (PubChem CID 143562785) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 1,2-dimethylcyclohexane;2-methylpropane.

Molecular Properties

Compound Name1,2-dimethylcyclohexane;2-methylpropane
PubChem CID143562785
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name1,2-dimethylcyclohexane;2-methylpropane
SMILESCC(C)C.CC1CCCCC1C
InChIInChI=1S/C8H16.C4H10/c1-7-5-3-4-6-8(7)2;1-4(2)3/h7-8H,3-6H2,1-2H3;4H,1-3H3
InChIKeyRVWAQIOHTNXLQO-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcyclobutane;2-methylpropane
CID 143728444
1,2-dimethylcycloicosane
CID 123296856
1,2-dimethylcyclohexane;vanadium
CID 142004480
cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
CID 142167756
1,2-dimethylcyclohexane;methane;molecular iodine
CID 159309824
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
1,2-dimethylcyclohexane;ethane;propane
CID 142115318
1,2,3-trimethylcycloheptane
CID 54005509
1-iodo-2-methylcyclohexane
CID 527569
bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane
CID 160659985
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
CID 161375940

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclohexane;2-methylpropane?
The IUPAC name of 1,2-dimethylcyclohexane;2-methylpropane (CID 143562785) is 1,2-dimethylcyclohexane;2-methylpropane.
What is the SMILES notation for 1,2-dimethylcyclohexane;2-methylpropane?
The canonical SMILES for 1,2-dimethylcyclohexane;2-methylpropane is CC(C)C.CC1CCCCC1C.
What is the InChIKey of 1,2-dimethylcyclohexane;2-methylpropane?
The InChIKey is RVWAQIOHTNXLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C4H10/c1-7-5-3-4-6-8(7)2;1-4(2)3/h7-8H,3-6H2,1-2H3;4H,1-3H3.
What are the key properties of 1,2-dimethylcyclohexane;2-methylpropane?
1,2-dimethylcyclohexane;2-methylpropane has a molecular weight of 170.34 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclohexane;2-methylpropane is sourced from PubChem (CID 143562785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).