(1S)-1-cyclobutyl-2-methoxycyclobutane

C9H16O — CID 89278867

IUPAC(1S)-1-cyclobutyl-2-methoxycyclobutane
SMILESCOC1CC[C@H]1C1CCC1
InChIInChI=1S/C9H16O/c1-10-9-6-5-8(9)7-3-2-4-7/h7-9H,2-6H2,1H3/t8-,9?/m0/s1
InChIKeyDGAROYGTYISWJE-IENPIDJESA-N
MW140.23 g/mol
LogP2.21
Rot. Bonds2

About (1S)-1-cyclobutyl-2-methoxycyclobutane

(1S)-1-cyclobutyl-2-methoxycyclobutane (PubChem CID 89278867) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S)-1-cyclobutyl-2-methoxycyclobutane.

Molecular Properties

Compound Name(1S)-1-cyclobutyl-2-methoxycyclobutane
PubChem CID89278867
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1S)-1-cyclobutyl-2-methoxycyclobutane
SMILESCOC1CC[C@H]1C1CCC1
InChIInChI=1S/C9H16O/c1-10-9-6-5-8(9)7-3-2-4-7/h7-9H,2-6H2,1H3/t8-,9?/m0/s1
InChIKeyDGAROYGTYISWJE-IENPIDJESA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclobutyl-2-methoxycyclobutane?
The IUPAC name of (1S)-1-cyclobutyl-2-methoxycyclobutane (CID 89278867) is (1S)-1-cyclobutyl-2-methoxycyclobutane.
What is the SMILES notation for (1S)-1-cyclobutyl-2-methoxycyclobutane?
The canonical SMILES for (1S)-1-cyclobutyl-2-methoxycyclobutane is COC1CC[C@H]1C1CCC1.
What is the InChIKey of (1S)-1-cyclobutyl-2-methoxycyclobutane?
The InChIKey is DGAROYGTYISWJE-IENPIDJESA-N. The full InChI is InChI=1S/C9H16O/c1-10-9-6-5-8(9)7-3-2-4-7/h7-9H,2-6H2,1H3/t8-,9?/m0/s1.
What are the key properties of (1S)-1-cyclobutyl-2-methoxycyclobutane?
(1S)-1-cyclobutyl-2-methoxycyclobutane has a molecular weight of 140.23 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclobutyl-2-methoxycyclobutane is sourced from PubChem (CID 89278867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).