1-methyl-1-propoxycyclopentane

C9H18O — CID 54566051

IUPAC1-methyl-1-propoxycyclopentane
SMILESCCCOC1(C)CCCC1
InChIInChI=1S/C9H18O/c1-3-8-10-9(2)6-4-5-7-9/h3-8H2,1-2H3
InChIKeyZTWZCLPKLWCLKH-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.75
Rot. Bonds3

About 1-methyl-1-propoxycyclopentane

1-methyl-1-propoxycyclopentane (PubChem CID 54566051) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-methyl-1-propoxycyclopentane.

Molecular Properties

Compound Name1-methyl-1-propoxycyclopentane
PubChem CID54566051
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-methyl-1-propoxycyclopentane
SMILESCCCOC1(C)CCCC1
InChIInChI=1S/C9H18O/c1-3-8-10-9(2)6-4-5-7-9/h3-8H2,1-2H3
InChIKeyZTWZCLPKLWCLKH-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-propoxycyclopentane?
The IUPAC name of 1-methyl-1-propoxycyclopentane (CID 54566051) is 1-methyl-1-propoxycyclopentane.
What is the SMILES notation for 1-methyl-1-propoxycyclopentane?
The canonical SMILES for 1-methyl-1-propoxycyclopentane is CCCOC1(C)CCCC1.
What is the InChIKey of 1-methyl-1-propoxycyclopentane?
The InChIKey is ZTWZCLPKLWCLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-8-10-9(2)6-4-5-7-9/h3-8H2,1-2H3.
What are the key properties of 1-methyl-1-propoxycyclopentane?
1-methyl-1-propoxycyclopentane has a molecular weight of 142.24 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-propoxycyclopentane is sourced from PubChem (CID 54566051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).