methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane

C23H42 — CID 162170584

IUPACmethane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane
SMILESC.CC(C)C(C)C1CCCCC1.CC(C)C(C)c1ccccc1
InChIInChI=1S/C11H22.C11H16.CH4/c2*1-9(2)10(3)11-7-5-4-6-8-11;/h9-11H,4-8H2,1-3H3;4-10H,1-3H3;1H4
InChIKeyZNSRCXOHAIWDJZ-UHFFFAOYSA-N
MW318.59 g/mol
LogP7.94
Rot. Bonds4

About methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane

methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane (PubChem CID 162170584) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane.

Molecular Properties

Compound Namemethane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane
PubChem CID162170584
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Namemethane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane
SMILESC.CC(C)C(C)C1CCCCC1.CC(C)C(C)c1ccccc1
InChIInChI=1S/C11H22.C11H16.CH4/c2*1-9(2)10(3)11-7-5-4-6-8-11;/h9-11H,4-8H2,1-3H3;4-10H,1-3H3;1H4
InChIKeyZNSRCXOHAIWDJZ-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.59
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane?
The IUPAC name of methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane (CID 162170584) is methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane.
What is the SMILES notation for methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane?
The canonical SMILES for methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane is C.CC(C)C(C)C1CCCCC1.CC(C)C(C)c1ccccc1.
What is the InChIKey of methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane?
The InChIKey is ZNSRCXOHAIWDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.C11H16.CH4/c2*1-9(2)10(3)11-7-5-4-6-8-11;/h9-11H,4-8H2,1-3H3;4-10H,1-3H3;1H4.
What are the key properties of methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane?
methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane has a molecular weight of 318.59 g/mol, XLogP of 7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane is sourced from PubChem (CID 162170584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).