1-methyl-1-propan-2-ylcyclopentane

C9H18 — CID 524891

IUPAC1-methyl-1-propan-2-ylcyclopentane
SMILESCC(C)C1(C)CCCC1
InChIInChI=1S/C9H18/c1-8(2)9(3)6-4-5-7-9/h8H,4-7H2,1-3H3
InChIKeyXFMQGDWBNOQLEG-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds1

About 1-methyl-1-propan-2-ylcyclopentane

1-methyl-1-propan-2-ylcyclopentane (PubChem CID 524891) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1-methyl-1-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-methyl-1-propan-2-ylcyclopentane
PubChem CID524891
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1-methyl-1-propan-2-ylcyclopentane
SMILESCC(C)C1(C)CCCC1
InChIInChI=1S/C9H18/c1-8(2)9(3)6-4-5-7-9/h8H,4-7H2,1-3H3
InChIKeyXFMQGDWBNOQLEG-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-propan-2-ylcyclopentane?
The IUPAC name of 1-methyl-1-propan-2-ylcyclopentane (CID 524891) is 1-methyl-1-propan-2-ylcyclopentane.
What is the SMILES notation for 1-methyl-1-propan-2-ylcyclopentane?
The canonical SMILES for 1-methyl-1-propan-2-ylcyclopentane is CC(C)C1(C)CCCC1.
What is the InChIKey of 1-methyl-1-propan-2-ylcyclopentane?
The InChIKey is XFMQGDWBNOQLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-8(2)9(3)6-4-5-7-9/h8H,4-7H2,1-3H3.
What are the key properties of 1-methyl-1-propan-2-ylcyclopentane?
1-methyl-1-propan-2-ylcyclopentane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-propan-2-ylcyclopentane is sourced from PubChem (CID 524891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).