1,1-dimethyl-2-propylcyclohexane

C11H22 — CID 549978

IUPAC1,1-dimethyl-2-propylcyclohexane
SMILESCCCC1CCCCC1(C)C
InChIInChI=1S/C11H22/c1-4-7-10-8-5-6-9-11(10,2)3/h10H,4-9H2,1-3H3
InChIKeyXKMQXWSKJIGVIO-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds2

About 1,1-dimethyl-2-propylcyclohexane

1,1-dimethyl-2-propylcyclohexane (PubChem CID 549978) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1,1-dimethyl-2-propylcyclohexane.

Molecular Properties

Compound Name1,1-dimethyl-2-propylcyclohexane
PubChem CID549978
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1,1-dimethyl-2-propylcyclohexane
SMILESCCCC1CCCCC1(C)C
InChIInChI=1S/C11H22/c1-4-7-10-8-5-6-9-11(10,2)3/h10H,4-9H2,1-3H3
InChIKeyXKMQXWSKJIGVIO-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-propylcyclohexane?
The IUPAC name of 1,1-dimethyl-2-propylcyclohexane (CID 549978) is 1,1-dimethyl-2-propylcyclohexane.
What is the SMILES notation for 1,1-dimethyl-2-propylcyclohexane?
The canonical SMILES for 1,1-dimethyl-2-propylcyclohexane is CCCC1CCCCC1(C)C.
What is the InChIKey of 1,1-dimethyl-2-propylcyclohexane?
The InChIKey is XKMQXWSKJIGVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-7-10-8-5-6-9-11(10,2)3/h10H,4-9H2,1-3H3.
What are the key properties of 1,1-dimethyl-2-propylcyclohexane?
1,1-dimethyl-2-propylcyclohexane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-propylcyclohexane is sourced from PubChem (CID 549978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).