(3R)-5-methyl-2-methylidene-3-octyloxolane

C14H26O — CID 88972252

IUPAC(3R)-5-methyl-2-methylidene-3-octyloxolane
SMILESC=C1OC(C)C[C@H]1CCCCCCCC
InChIInChI=1S/C14H26O/c1-4-5-6-7-8-9-10-14-11-12(2)15-13(14)3/h12,14H,3-11H2,1-2H3/t12?,14-/m1/s1
InChIKeyKZQXELYOFCEGCN-TYZXPVIJSA-N
MW210.36 g/mol
LogP4.68
Rot. Bonds7

About (3R)-5-methyl-2-methylidene-3-octyloxolane

(3R)-5-methyl-2-methylidene-3-octyloxolane (PubChem CID 88972252) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (3R)-5-methyl-2-methylidene-3-octyloxolane.

Molecular Properties

Compound Name(3R)-5-methyl-2-methylidene-3-octyloxolane
PubChem CID88972252
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(3R)-5-methyl-2-methylidene-3-octyloxolane
SMILESC=C1OC(C)C[C@H]1CCCCCCCC
InChIInChI=1S/C14H26O/c1-4-5-6-7-8-9-10-14-11-12(2)15-13(14)3/h12,14H,3-11H2,1-2H3/t12?,14-/m1/s1
InChIKeyKZQXELYOFCEGCN-TYZXPVIJSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R)-5-methyl-2-methylidene-3-octyloxolane 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 (3R)-5-methyl-2-methylidene-3-octyloxolane?
The IUPAC name of (3R)-5-methyl-2-methylidene-3-octyloxolane (CID 88972252) is (3R)-5-methyl-2-methylidene-3-octyloxolane.
What is the SMILES notation for (3R)-5-methyl-2-methylidene-3-octyloxolane?
The canonical SMILES for (3R)-5-methyl-2-methylidene-3-octyloxolane is C=C1OC(C)C[C@H]1CCCCCCCC.
What is the InChIKey of (3R)-5-methyl-2-methylidene-3-octyloxolane?
The InChIKey is KZQXELYOFCEGCN-TYZXPVIJSA-N. The full InChI is InChI=1S/C14H26O/c1-4-5-6-7-8-9-10-14-11-12(2)15-13(14)3/h12,14H,3-11H2,1-2H3/t12?,14-/m1/s1.
What are the key properties of (3R)-5-methyl-2-methylidene-3-octyloxolane?
(3R)-5-methyl-2-methylidene-3-octyloxolane has a molecular weight of 210.36 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methyl-2-methylidene-3-octyloxolane is sourced from PubChem (CID 88972252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).