(2R,4S)-2-cyclopropyl-4-methyloxane

C9H16O — CID 118913002

IUPAC(2R,4S)-2-cyclopropyl-4-methyloxane
SMILESC[C@H]1CCO[C@@H](C2CC2)C1
InChIInChI=1S/C9H16O/c1-7-4-5-10-9(6-7)8-2-3-8/h7-9H,2-6H2,1H3/t7-,9+/m0/s1
InChIKeyFJCVNIRERDOSTB-IONNQARKSA-N
MW140.23 g/mol
LogP2.21
Rot. Bonds1

About (2R,4S)-2-cyclopropyl-4-methyloxane

(2R,4S)-2-cyclopropyl-4-methyloxane (PubChem CID 118913002) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2R,4S)-2-cyclopropyl-4-methyloxane.

Molecular Properties

Compound Name(2R,4S)-2-cyclopropyl-4-methyloxane
PubChem CID118913002
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2R,4S)-2-cyclopropyl-4-methyloxane
SMILESC[C@H]1CCO[C@@H](C2CC2)C1
InChIInChI=1S/C9H16O/c1-7-4-5-10-9(6-7)8-2-3-8/h7-9H,2-6H2,1H3/t7-,9+/m0/s1
InChIKeyFJCVNIRERDOSTB-IONNQARKSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 (2R,4S)-2-cyclopropyl-4-methyloxane?
The IUPAC name of (2R,4S)-2-cyclopropyl-4-methyloxane (CID 118913002) is (2R,4S)-2-cyclopropyl-4-methyloxane.
What is the SMILES notation for (2R,4S)-2-cyclopropyl-4-methyloxane?
The canonical SMILES for (2R,4S)-2-cyclopropyl-4-methyloxane is C[C@H]1CCO[C@@H](C2CC2)C1.
What is the InChIKey of (2R,4S)-2-cyclopropyl-4-methyloxane?
The InChIKey is FJCVNIRERDOSTB-IONNQARKSA-N. The full InChI is InChI=1S/C9H16O/c1-7-4-5-10-9(6-7)8-2-3-8/h7-9H,2-6H2,1H3/t7-,9+/m0/s1.
What are the key properties of (2R,4S)-2-cyclopropyl-4-methyloxane?
(2R,4S)-2-cyclopropyl-4-methyloxane has a molecular weight of 140.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-cyclopropyl-4-methyloxane is sourced from PubChem (CID 118913002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).