(2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane

C11H18O — CID 102186275

IUPAC(2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane
SMILESC=C(C)C[C@@H]1CC(=C)C[C@H](C)O1
InChIInChI=1S/C11H18O/c1-8(2)5-11-7-9(3)6-10(4)12-11/h10-11H,1,3,5-7H2,2,4H3/t10-,11+/m0/s1
InChIKeyDYNCPQNAFJKTPE-WDEREUQCSA-N
MW166.26 g/mol
LogP3.08
Rot. Bonds2

About (2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane

(2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane (PubChem CID 102186275) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane.

Molecular Properties

Compound Name(2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane
PubChem CID102186275
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane
SMILESC=C(C)C[C@@H]1CC(=C)C[C@H](C)O1
InChIInChI=1S/C11H18O/c1-8(2)5-11-7-9(3)6-10(4)12-11/h10-11H,1,3,5-7H2,2,4H3/t10-,11+/m0/s1
InChIKeyDYNCPQNAFJKTPE-WDEREUQCSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran, 2-butyltetrahydro-6-methyl-4-methylene-
CID 91149
tetrahydro-4-methylene-2-(2-methylpropyl)-2H-pyran
CID 108399
2-Methyl-4-methoxyoct-1-ene
CID 12657011
2-Propyl-4-methylenetetrahydropyran
CID 12283592
2-Butyl-4-methylenetetrahydropyran
CID 13516143
2-Prop-1-en-2-yloxane
CID 68849969
2-Hept-1-en-2-yloxane
CID 70645400
2-But-1-en-2-yloxane
CID 70645401
5-Methylidene-2-pentyloxane
CID 118489514
4-Methylidene-2-propan-2-yloxane
CID 12283091
2-methyl-4-methylenetetrahydro-2H-pyran
CID 12338272
2-Ethyl-4-methylideneoxane
CID 12347115

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane?
The IUPAC name of (2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane (CID 102186275) is (2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane.
What is the SMILES notation for (2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane?
The canonical SMILES for (2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane is C=C(C)C[C@@H]1CC(=C)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane?
The InChIKey is DYNCPQNAFJKTPE-WDEREUQCSA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)5-11-7-9(3)6-10(4)12-11/h10-11H,1,3,5-7H2,2,4H3/t10-,11+/m0/s1.
What are the key properties of (2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane?
(2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane has a molecular weight of 166.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane is sourced from PubChem (CID 102186275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).