(2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane

C15H26O — CID 53310182

IUPAC(2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane
SMILESC=C[C@]1(C)CC[C@@H](C(=C)C)[C@H](CC(C)C)O1
InChIInChI=1S/C15H26O/c1-7-15(6)9-8-13(12(4)5)14(16-15)10-11(2)3/h7,11,13-14H,1,4,8-10H2,2-3,5-6H3/t13-,14-,15+/m0/s1
InChIKeyQXDRMGRVQUIZIX-SOUVJXGZSA-N
MW222.37 g/mol
LogP4.35
Rot. Bonds4

About (2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane

(2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane (PubChem CID 53310182) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane.

Molecular Properties

Compound Name(2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane
PubChem CID53310182
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane
SMILESC=C[C@]1(C)CC[C@@H](C(=C)C)[C@H](CC(C)C)O1
InChIInChI=1S/C15H26O/c1-7-15(6)9-8-13(12(4)5)14(16-15)10-11(2)3/h7,11,13-14H,1,4,8-10H2,2-3,5-6H3/t13-,14-,15+/m0/s1
InChIKeyQXDRMGRVQUIZIX-SOUVJXGZSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.35
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

1-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol
CID 20975834
2-ethenyl-5-ethyl-2-methyloxolane
CID 6431150
(2R,3R,6S)-6-methyl-2-(2-methylpropyl)-3-prop-1-en-2-yloxane
CID 25421543
(2R)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-1-ol
CID 162923110
3-(5-ethenyl-5-methyloxolan-2-yl)butan-2-one
CID 529919
(5S)-5-ethenyl-5-methyloxolan-2-ol
CID 15241028
1,3-bis[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-one
CID 54545713
1-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]ethanone
CID 70555930
(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
CID 131221986
(4Z)-2-(5-ethenyl-5-methyloxolan-2-yl)-5-hydroxy-6-methylhepta-4,6-dien-3-one
CID 91727820
(2S)-2-[(5S)-5-ethenyl-5-methyloxolan-2-yl]propanal
CID 90477447
2-(5-ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid
CID 44566293

Frequently Asked Questions

What is the IUPAC name of (2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane?
The IUPAC name of (2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane (CID 53310182) is (2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane.
What is the SMILES notation for (2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane?
The canonical SMILES for (2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane is C=C[C@]1(C)CC[C@@H](C(=C)C)[C@H](CC(C)C)O1.
What is the InChIKey of (2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane?
The InChIKey is QXDRMGRVQUIZIX-SOUVJXGZSA-N. The full InChI is InChI=1S/C15H26O/c1-7-15(6)9-8-13(12(4)5)14(16-15)10-11(2)3/h7,11,13-14H,1,4,8-10H2,2-3,5-6H3/t13-,14-,15+/m0/s1.
What are the key properties of (2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane?
(2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane has a molecular weight of 222.37 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane is sourced from PubChem (CID 53310182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).