(1-methoxycyclopropyl)cyclopentane

C9H16O — CID 12564474

IUPAC(1-methoxycyclopropyl)cyclopentane
SMILESCOC1(C2CCCC2)CC1
InChIInChI=1S/C9H16O/c1-10-9(6-7-9)8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyQHRHLMWHDKBGTJ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.36
Rot. Bonds2

About (1-methoxycyclopropyl)cyclopentane

(1-methoxycyclopropyl)cyclopentane (PubChem CID 12564474) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1-methoxycyclopropyl)cyclopentane.

Molecular Properties

Compound Name(1-methoxycyclopropyl)cyclopentane
PubChem CID12564474
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1-methoxycyclopropyl)cyclopentane
SMILESCOC1(C2CCCC2)CC1
InChIInChI=1S/C9H16O/c1-10-9(6-7-9)8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyQHRHLMWHDKBGTJ-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-methoxycyclopropyl)cyclopentane?
The IUPAC name of (1-methoxycyclopropyl)cyclopentane (CID 12564474) is (1-methoxycyclopropyl)cyclopentane.
What is the SMILES notation for (1-methoxycyclopropyl)cyclopentane?
The canonical SMILES for (1-methoxycyclopropyl)cyclopentane is COC1(C2CCCC2)CC1.
What is the InChIKey of (1-methoxycyclopropyl)cyclopentane?
The InChIKey is QHRHLMWHDKBGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-10-9(6-7-9)8-4-2-3-5-8/h8H,2-7H2,1H3.
What are the key properties of (1-methoxycyclopropyl)cyclopentane?
(1-methoxycyclopropyl)cyclopentane 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-methoxycyclopropyl)cyclopentane is sourced from PubChem (CID 12564474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).