3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane

C9H16O — CID 175612432

IUPAC3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane
SMILESCC(C)[C@H]1C[C@H]1C1COC1
InChIInChI=1S/C9H16O/c1-6(2)8-3-9(8)7-4-10-5-7/h6-9H,3-5H2,1-2H3/t8-,9+/m1/s1
InChIKeyLQJXZZRGJUWBDT-BDAKNGLRSA-N
MW140.23 g/mol
LogP1.92
Rot. Bonds2

About 3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane

3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane (PubChem CID 175612432) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane.

Molecular Properties

Compound Name3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane
PubChem CID175612432
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane
SMILESCC(C)[C@H]1C[C@H]1C1COC1
InChIInChI=1S/C9H16O/c1-6(2)8-3-9(8)7-4-10-5-7/h6-9H,3-5H2,1-2H3/t8-,9+/m1/s1
InChIKeyLQJXZZRGJUWBDT-BDAKNGLRSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane
CID 143376403
ethane;3-oxabicyclo[3.1.0]hexane
CID 177000090
5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 123136118
3-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]furan
CID 118613005
3,4-di(propan-2-yl)oxolane;2-methylbutane
CID 161401744
1-(2-cyclopropylcyclopropyl)ethanol
CID 130149488
(3S,6S)-3-propan-2-yltricyclo[3.1.0.02,6]hexane
CID 163485393
5-(3-methylbutan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 146652691
1,1-dimethyl-2-(2-propan-2-ylcyclopropyl)cyclopropane
CID 123309747
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
(1S,2R,4S,6S)-6-propan-2-ylbicyclo[2.2.1]heptan-2-ol
CID 130944389
(1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane
CID 168806691

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane?
The IUPAC name of 3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane (CID 175612432) is 3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane.
What is the SMILES notation for 3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane?
The canonical SMILES for 3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane is CC(C)[C@H]1C[C@H]1C1COC1.
What is the InChIKey of 3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane?
The InChIKey is LQJXZZRGJUWBDT-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H16O/c1-6(2)8-3-9(8)7-4-10-5-7/h6-9H,3-5H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of 3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane?
3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane has a molecular weight of 140.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane is sourced from PubChem (CID 175612432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).