2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane

C17H30O — CID 145231683

IUPAC2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane
SMILESC=C/C(=C\C=C/CC)C1CC(C)CC(C)O1.CC
InChIInChI=1S/C15H24O.C2H6/c1-5-7-8-9-14(6-2)15-11-12(3)10-13(4)16-15;1-2/h6-9,12-13,15H,2,5,10-11H2,1,3-4H3;1-2H3/b8-7-,14-9+;
InChIKeyDNWIYDYJWCVTJV-AENWIXSNSA-N
MW250.43 g/mol
LogP5.29
Rot. Bonds4

About 2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane

2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane (PubChem CID 145231683) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane.

Molecular Properties

Compound Name2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane
PubChem CID145231683
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane
SMILESC=C/C(=C\C=C/CC)C1CC(C)CC(C)O1.CC
InChIInChI=1S/C15H24O.C2H6/c1-5-7-8-9-14(6-2)15-11-12(3)10-13(4)16-15;1-2/h6-9,12-13,15H,2,5,10-11H2,1,3-4H3;1-2H3/b8-7-,14-9+;
InChIKeyDNWIYDYJWCVTJV-AENWIXSNSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane with MolForge

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Related Compounds

Rose oxide
CID 27866
Rose oxide, cis-(-)-
CID 1712087
Rose oxide, cis-(+)-
CID 6432154
Rose oxide, trans-(-)-
CID 7093102
(2S,4S,4aS,8aR)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 100982633
(2R,4R,4aS,7aR,10aS,10bR)-4,10-dimethyl-7-methylidene-2-(2-methylprop-1-enyl)-2,3,4,4a,5,6,7a,8,10a,10b-decahydroazuleno[4,5-b]pyran
CID 163035558
Rose oxide, trans-(+)-
CID 1712086
cis-Quinceoxepane
CID 131752305
(2S,4S,4aS,8aS)-4,7-dimethyl-2-(2-methylprop-1-enyl)-3,4,4a,5,6,8a-hexahydro-2H-chromene
CID 15484403
Lanceoloxide
CID 91749733
2-cyclohexyl-3,6-dihydro-2H-pyran
CID 11126643
2H-Pyran, 2-cyclohexyl-5,6-dihydro-
CID 11829812

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane?
The IUPAC name of 2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane (CID 145231683) is 2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane.
What is the SMILES notation for 2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane?
The canonical SMILES for 2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane is C=C/C(=C\C=C/CC)C1CC(C)CC(C)O1.CC.
What is the InChIKey of 2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane?
The InChIKey is DNWIYDYJWCVTJV-AENWIXSNSA-N. The full InChI is InChI=1S/C15H24O.C2H6/c1-5-7-8-9-14(6-2)15-11-12(3)10-13(4)16-15;1-2/h6-9,12-13,15H,2,5,10-11H2,1,3-4H3;1-2H3/b8-7-,14-9+;.
What are the key properties of 2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane?
2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane has a molecular weight of 250.43 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxane;ethane is sourced from PubChem (CID 145231683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).