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

C11H20O — CID 88972245

IUPAC(3R)-5-methyl-2-methylidene-3-pentyloxolane
SMILESC=C1OC(C)C[C@H]1CCCCC
InChIInChI=1S/C11H20O/c1-4-5-6-7-11-8-9(2)12-10(11)3/h9,11H,3-8H2,1-2H3/t9?,11-/m1/s1
InChIKeyWQWLEWHSQCTHEI-HCCKASOXSA-N
MW168.28 g/mol
LogP3.51
Rot. Bonds4

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

(3R)-5-methyl-2-methylidene-3-pentyloxolane (PubChem CID 88972245) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3R)-5-methyl-2-methylidene-3-pentyloxolane.

Molecular Properties

Compound Name(3R)-5-methyl-2-methylidene-3-pentyloxolane
PubChem CID88972245
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3R)-5-methyl-2-methylidene-3-pentyloxolane
SMILESC=C1OC(C)C[C@H]1CCCCC
InChIInChI=1S/C11H20O/c1-4-5-6-7-11-8-9(2)12-10(11)3/h9,11H,3-8H2,1-2H3/t9?,11-/m1/s1
InChIKeyWQWLEWHSQCTHEI-HCCKASOXSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-methyl-2-methylidene-3-pentyloxolane?
The IUPAC name of (3R)-5-methyl-2-methylidene-3-pentyloxolane (CID 88972245) is (3R)-5-methyl-2-methylidene-3-pentyloxolane.
What is the SMILES notation for (3R)-5-methyl-2-methylidene-3-pentyloxolane?
The canonical SMILES for (3R)-5-methyl-2-methylidene-3-pentyloxolane is C=C1OC(C)C[C@H]1CCCCC.
What is the InChIKey of (3R)-5-methyl-2-methylidene-3-pentyloxolane?
The InChIKey is WQWLEWHSQCTHEI-HCCKASOXSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-7-11-8-9(2)12-10(11)3/h9,11H,3-8H2,1-2H3/t9?,11-/m1/s1.
What are the key properties of (3R)-5-methyl-2-methylidene-3-pentyloxolane?
(3R)-5-methyl-2-methylidene-3-pentyloxolane has a molecular weight of 168.28 g/mol, XLogP of 3.51, 4 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-pentyloxolane is sourced from PubChem (CID 88972245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).