1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane

C17H32 — CID 20647647

IUPAC1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane
SMILESCC1CCCC(C(C)(C)C2CCCC(C)C2)C1
InChIInChI=1S/C17H32/c1-13-7-5-9-15(11-13)17(3,4)16-10-6-8-14(2)12-16/h13-16H,5-12H2,1-4H3
InChIKeyFJGKZALIFWSXKS-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.67
Rot. Bonds2

About 1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane

1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane (PubChem CID 20647647) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane.

Molecular Properties

Compound Name1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane
PubChem CID20647647
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane
SMILESCC1CCCC(C(C)(C)C2CCCC(C)C2)C1
InChIInChI=1S/C17H32/c1-13-7-5-9-15(11-13)17(3,4)16-10-6-8-14(2)12-16/h13-16H,5-12H2,1-4H3
InChIKeyFJGKZALIFWSXKS-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane?
The IUPAC name of 1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane (CID 20647647) is 1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane.
What is the SMILES notation for 1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane?
The canonical SMILES for 1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane is CC1CCCC(C(C)(C)C2CCCC(C)C2)C1.
What is the InChIKey of 1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane?
The InChIKey is FJGKZALIFWSXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-13-7-5-9-15(11-13)17(3,4)16-10-6-8-14(2)12-16/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane?
1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane has a molecular weight of 236.44 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(3-methylcyclohexyl)propan-2-yl]cyclohexane is sourced from PubChem (CID 20647647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).