(2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane

C13H24O — CID 59003864

IUPAC(2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane
SMILESC=C1C[C@H](C)C[C@@H](CCC(C)(C)C)O1
InChIInChI=1S/C13H24O/c1-10-8-11(2)14-12(9-10)6-7-13(3,4)5/h10,12H,2,6-9H2,1,3-5H3/t10-,12+/m0/s1
InChIKeySQJWKDWYARHXQM-CMPLNLGQSA-N
MW196.33 g/mol
LogP4.14
Rot. Bonds2

About (2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane

(2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane (PubChem CID 59003864) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane.

Molecular Properties

Compound Name(2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane
PubChem CID59003864
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane
SMILESC=C1C[C@H](C)C[C@@H](CCC(C)(C)C)O1
InChIInChI=1S/C13H24O/c1-10-8-11(2)14-12(9-10)6-7-13(3,4)5/h10,12H,2,6-9H2,1,3-5H3/t10-,12+/m0/s1
InChIKeySQJWKDWYARHXQM-CMPLNLGQSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tetrahydro-4-methylene-2-(2-methylpropyl)-2H-pyran
CID 108399
Thromboxene
CID 57129285
5-(4-Fluoropentyl)-2-methylideneoxane
CID 126704984
4-Methylidene-2-propan-2-yloxane
CID 12283091
4-Methyl-2-(2-methylprop-2-enyl)oxane
CID 13894254
W66K9Csq4Z
CID 92278448
(2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane
CID 102186272
(2R)-2-tert-butyl-4-methylideneoxane
CID 134959697
(2R,3S)-3-ethenyl-2-propyloxane
CID 134995819
2-methyl-4-methylidene-6-(2,4,4-trimethylpentyl)tetrahydro-2H-pyran
CID 3813728
(2R,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane
CID 102095301
(2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane
CID 102095302

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane?
The IUPAC name of (2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane (CID 59003864) is (2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane.
What is the SMILES notation for (2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane?
The canonical SMILES for (2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane is C=C1C[C@H](C)C[C@@H](CCC(C)(C)C)O1.
What is the InChIKey of (2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane?
The InChIKey is SQJWKDWYARHXQM-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H24O/c1-10-8-11(2)14-12(9-10)6-7-13(3,4)5/h10,12H,2,6-9H2,1,3-5H3/t10-,12+/m0/s1.
What are the key properties of (2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane?
(2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane has a molecular weight of 196.33 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(3,3-dimethylbutyl)-4-methyl-6-methylideneoxane is sourced from PubChem (CID 59003864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).