(2R,5S)-5-methyl-2-prop-2-enyloxane

C9H16O — CID 101272075

IUPAC(2R,5S)-5-methyl-2-prop-2-enyloxane
SMILESC=CC[C@H]1CC[C@H](C)CO1
InChIInChI=1S/C9H16O/c1-3-4-9-6-5-8(2)7-10-9/h3,8-9H,1,4-7H2,2H3/t8-,9-/m0/s1
InChIKeyZIBBIZVWYIDPES-IUCAKERBSA-N
MW140.23 g/mol
LogP2.38
Rot. Bonds2

About (2R,5S)-5-methyl-2-prop-2-enyloxane

(2R,5S)-5-methyl-2-prop-2-enyloxane (PubChem CID 101272075) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2R,5S)-5-methyl-2-prop-2-enyloxane.

Molecular Properties

Compound Name(2R,5S)-5-methyl-2-prop-2-enyloxane
PubChem CID101272075
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2R,5S)-5-methyl-2-prop-2-enyloxane
SMILESC=CC[C@H]1CC[C@H](C)CO1
InChIInChI=1S/C9H16O/c1-3-4-9-6-5-8(2)7-10-9/h3,8-9H,1,4-7H2,2H3/t8-,9-/m0/s1
InChIKeyZIBBIZVWYIDPES-IUCAKERBSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,5S)-5-methyl-2-prop-2-enyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-methyl-2-prop-2-enyloxane?
The IUPAC name of (2R,5S)-5-methyl-2-prop-2-enyloxane (CID 101272075) is (2R,5S)-5-methyl-2-prop-2-enyloxane.
What is the SMILES notation for (2R,5S)-5-methyl-2-prop-2-enyloxane?
The canonical SMILES for (2R,5S)-5-methyl-2-prop-2-enyloxane is C=CC[C@H]1CC[C@H](C)CO1.
What is the InChIKey of (2R,5S)-5-methyl-2-prop-2-enyloxane?
The InChIKey is ZIBBIZVWYIDPES-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-9-6-5-8(2)7-10-9/h3,8-9H,1,4-7H2,2H3/t8-,9-/m0/s1.
What are the key properties of (2R,5S)-5-methyl-2-prop-2-enyloxane?
(2R,5S)-5-methyl-2-prop-2-enyloxane has a molecular weight of 140.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-methyl-2-prop-2-enyloxane is sourced from PubChem (CID 101272075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).