1-cyclopropyl-1-methoxycyclopentane

C9H16O — CID 59169338

IUPAC1-cyclopropyl-1-methoxycyclopentane
SMILESCOC1(C2CC2)CCCC1
InChIInChI=1S/C9H16O/c1-10-9(8-4-5-8)6-2-3-7-9/h8H,2-7H2,1H3
InChIKeyCPNPUBFXIVMLHF-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.36
Rot. Bonds2

About 1-cyclopropyl-1-methoxycyclopentane

1-cyclopropyl-1-methoxycyclopentane (PubChem CID 59169338) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxycyclopentane.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxycyclopentane
PubChem CID59169338
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-cyclopropyl-1-methoxycyclopentane
SMILESCOC1(C2CC2)CCCC1
InChIInChI=1S/C9H16O/c1-10-9(8-4-5-8)6-2-3-7-9/h8H,2-7H2,1H3
InChIKeyCPNPUBFXIVMLHF-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxycyclopentane?
The IUPAC name of 1-cyclopropyl-1-methoxycyclopentane (CID 59169338) is 1-cyclopropyl-1-methoxycyclopentane.
What is the SMILES notation for 1-cyclopropyl-1-methoxycyclopentane?
The canonical SMILES for 1-cyclopropyl-1-methoxycyclopentane is COC1(C2CC2)CCCC1.
What is the InChIKey of 1-cyclopropyl-1-methoxycyclopentane?
The InChIKey is CPNPUBFXIVMLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-10-9(8-4-5-8)6-2-3-7-9/h8H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-1-methoxycyclopentane?
1-cyclopropyl-1-methoxycyclopentane has a molecular weight of 140.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxycyclopentane is sourced from PubChem (CID 59169338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).