(2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane

C15H24O — CID 162404499

IUPAC(2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane
SMILESC=C1C[C@H](C/C=C/C)O[C@H](/C=C(\C)CC)C1
InChIInChI=1S/C15H24O/c1-5-7-8-14-10-13(4)11-15(16-14)9-12(3)6-2/h5,7,9,14-15H,4,6,8,10-11H2,1-3H3/b7-5+,12-9+/t14-,15+/m0/s1
InChIKeyKJDAHBSJLYOSJS-LVJLZPHGSA-N
MW220.36 g/mol
LogP4.41
Rot. Bonds4

About (2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane

(2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane (PubChem CID 162404499) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane.

Molecular Properties

Compound Name(2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane
PubChem CID162404499
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane
SMILESC=C1C[C@H](C/C=C/C)O[C@H](/C=C(\C)CC)C1
InChIInChI=1S/C15H24O/c1-5-7-8-14-10-13(4)11-15(16-14)9-12(3)6-2/h5,7,9,14-15H,4,6,8,10-11H2,1-3H3/b7-5+,12-9+/t14-,15+/m0/s1
InChIKeyKJDAHBSJLYOSJS-LVJLZPHGSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane with MolForge

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Related Compounds

2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148
2H-Pyran, 3,6-dihydro-4-(4-methyl-3-penten-1-yl)-
CID 91909
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
Cyclohexenyl oxirane
CID 10931430
2-Butyl-4-methyl-5,6-dihydro-2H-pyran
CID 12503534
2-Butyl-4-methyl-3,6-dihydro-2h-pyran
CID 12503535
3,4,6,7,8,8a-Hexahydro-2H-1-benzopyran
CID 66577467
2-(2-Methylprop-1-enyl)4-methylenetetrahydropyran, (R)-
CID 11708083
(2R)-2-(cyclohexen-1-yl)-2,5-dihydrofuran
CID 10012080
2-butyl-5,5-dimethyl-3-prop-2-enyl-2H-furan
CID 10888822
2-Hexyl-4-methyl-3-prop-2-enyl-2,5-dihydrofuran
CID 10943714

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane?
The IUPAC name of (2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane (CID 162404499) is (2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane.
What is the SMILES notation for (2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane?
The canonical SMILES for (2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane is C=C1C[C@H](C/C=C/C)O[C@H](/C=C(\C)CC)C1.
What is the InChIKey of (2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane?
The InChIKey is KJDAHBSJLYOSJS-LVJLZPHGSA-N. The full InChI is InChI=1S/C15H24O/c1-5-7-8-14-10-13(4)11-15(16-14)9-12(3)6-2/h5,7,9,14-15H,4,6,8,10-11H2,1-3H3/b7-5+,12-9+/t14-,15+/m0/s1.
What are the key properties of (2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane?
(2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane has a molecular weight of 220.36 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-[(E)-but-2-enyl]-6-[(E)-2-methylbut-1-enyl]-4-methylideneoxane is sourced from PubChem (CID 162404499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).