ethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole

C15H23NO — CID 144795148

IUPACethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole
SMILESC=C/C(C)=C\C(=C)c1coc(C(C)C)n1.CC
InChIInChI=1S/C13H17NO.C2H6/c1-6-10(4)7-11(5)12-8-15-13(14-12)9(2)3;1-2/h6-9H,1,5H2,2-4H3;1-2H3/b10-7-;
InChIKeyYDVVOCQFNZWIKO-VEZAGKLZSA-N
MW233.35 g/mol
LogP4.97
Rot. Bonds4

About ethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole

ethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole (PubChem CID 144795148) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is ethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Nameethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole
PubChem CID144795148
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Nameethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole
SMILESC=C/C(C)=C\C(=C)c1coc(C(C)C)n1.CC
InChIInChI=1S/C13H17NO.C2H6/c1-6-10(4)7-11(5)12-8-15-13(14-12)9(2)3;1-2/h6-9H,1,5H2,2-4H3;1-2H3/b10-7-;
InChIKeyYDVVOCQFNZWIKO-VEZAGKLZSA-N
XLogP4.97
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole?
The IUPAC name of ethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole (CID 144795148) is ethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for ethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for ethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole is C=C/C(C)=C\C(=C)c1coc(C(C)C)n1.CC.
What is the InChIKey of ethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole?
The InChIKey is YDVVOCQFNZWIKO-VEZAGKLZSA-N. The full InChI is InChI=1S/C13H17NO.C2H6/c1-6-10(4)7-11(5)12-8-15-13(14-12)9(2)3;1-2/h6-9H,1,5H2,2-4H3;1-2H3/b10-7-;.
What are the key properties of ethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole?
ethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole has a molecular weight of 233.35 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 144795148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).