(3R,5S)-5-methyl-2-methylidene-3-propyloxolane

C9H16O — CID 89001333

IUPAC(3R,5S)-5-methyl-2-methylidene-3-propyloxolane
SMILESC=C1O[C@@H](C)C[C@H]1CCC
InChIInChI=1S/C9H16O/c1-4-5-9-6-7(2)10-8(9)3/h7,9H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKeyCPJYAQGWINBNBJ-IONNQARKSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds2

About (3R,5S)-5-methyl-2-methylidene-3-propyloxolane

(3R,5S)-5-methyl-2-methylidene-3-propyloxolane (PubChem CID 89001333) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3R,5S)-5-methyl-2-methylidene-3-propyloxolane.

Molecular Properties

Compound Name(3R,5S)-5-methyl-2-methylidene-3-propyloxolane
PubChem CID89001333
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3R,5S)-5-methyl-2-methylidene-3-propyloxolane
SMILESC=C1O[C@@H](C)C[C@H]1CCC
InChIInChI=1S/C9H16O/c1-4-5-9-6-7(2)10-8(9)3/h7,9H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKeyCPJYAQGWINBNBJ-IONNQARKSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-methyl-2-methylidene-3-propyloxolane?
The IUPAC name of (3R,5S)-5-methyl-2-methylidene-3-propyloxolane (CID 89001333) is (3R,5S)-5-methyl-2-methylidene-3-propyloxolane.
What is the SMILES notation for (3R,5S)-5-methyl-2-methylidene-3-propyloxolane?
The canonical SMILES for (3R,5S)-5-methyl-2-methylidene-3-propyloxolane is C=C1O[C@@H](C)C[C@H]1CCC.
What is the InChIKey of (3R,5S)-5-methyl-2-methylidene-3-propyloxolane?
The InChIKey is CPJYAQGWINBNBJ-IONNQARKSA-N. The full InChI is InChI=1S/C9H16O/c1-4-5-9-6-7(2)10-8(9)3/h7,9H,3-6H2,1-2H3/t7-,9+/m0/s1.
What are the key properties of (3R,5S)-5-methyl-2-methylidene-3-propyloxolane?
(3R,5S)-5-methyl-2-methylidene-3-propyloxolane has a molecular weight of 140.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-methyl-2-methylidene-3-propyloxolane is sourced from PubChem (CID 89001333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).