1,2-dicyclohexyl-1-methylcyclohexane

C19H34 — CID 173420914

IUPAC1,2-dicyclohexyl-1-methylcyclohexane
SMILESCC1(C2CCCCC2)CCCCC1C1CCCCC1
InChIInChI=1S/C19H34/c1-19(17-12-6-3-7-13-17)15-9-8-14-18(19)16-10-4-2-5-11-16/h16-18H,2-15H2,1H3
InChIKeyVIZUJDYZOKVXRU-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.34
Rot. Bonds2

About 1,2-dicyclohexyl-1-methylcyclohexane

1,2-dicyclohexyl-1-methylcyclohexane (PubChem CID 173420914) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 1,2-dicyclohexyl-1-methylcyclohexane.

Molecular Properties

Compound Name1,2-dicyclohexyl-1-methylcyclohexane
PubChem CID173420914
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name1,2-dicyclohexyl-1-methylcyclohexane
SMILESCC1(C2CCCCC2)CCCCC1C1CCCCC1
InChIInChI=1S/C19H34/c1-19(17-12-6-3-7-13-17)15-9-8-14-18(19)16-10-4-2-5-11-16/h16-18H,2-15H2,1H3
InChIKeyVIZUJDYZOKVXRU-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 57064082
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CID 162452996
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CID 638018
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Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexyl-1-methylcyclohexane?
The IUPAC name of 1,2-dicyclohexyl-1-methylcyclohexane (CID 173420914) is 1,2-dicyclohexyl-1-methylcyclohexane.
What is the SMILES notation for 1,2-dicyclohexyl-1-methylcyclohexane?
The canonical SMILES for 1,2-dicyclohexyl-1-methylcyclohexane is CC1(C2CCCCC2)CCCCC1C1CCCCC1.
What is the InChIKey of 1,2-dicyclohexyl-1-methylcyclohexane?
The InChIKey is VIZUJDYZOKVXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-19(17-12-6-3-7-13-17)15-9-8-14-18(19)16-10-4-2-5-11-16/h16-18H,2-15H2,1H3.
What are the key properties of 1,2-dicyclohexyl-1-methylcyclohexane?
1,2-dicyclohexyl-1-methylcyclohexane has a molecular weight of 262.48 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-1-methylcyclohexane is sourced from PubChem (CID 173420914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).