ethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane

C16H28O — CID 143855395

IUPACethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane
SMILESC=C/C=C(\C=C)COC1CCCCC1C.CC
InChIInChI=1S/C14H22O.C2H6/c1-4-8-13(5-2)11-15-14-10-7-6-9-12(14)3;1-2/h4-5,8,12,14H,1-2,6-7,9-11H2,3H3;1-2H3/b13-8+;
InChIKeySZYBDYQIPOIVEV-FNXZNAJJSA-N
MW236.40 g/mol
LogP4.91
Rot. Bonds5

About ethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane

ethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane (PubChem CID 143855395) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is ethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane.

Molecular Properties

Compound Nameethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane
PubChem CID143855395
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Nameethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane
SMILESC=C/C=C(\C=C)COC1CCCCC1C.CC
InChIInChI=1S/C14H22O.C2H6/c1-4-8-13(5-2)11-15-14-10-7-6-9-12(14)3;1-2/h4-5,8,12,14H,1-2,6-7,9-11H2,3H3;1-2H3/b13-8+;
InChIKeySZYBDYQIPOIVEV-FNXZNAJJSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane?
The IUPAC name of ethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane (CID 143855395) is ethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane.
What is the SMILES notation for ethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane?
The canonical SMILES for ethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane is C=C/C=C(\C=C)COC1CCCCC1C.CC.
What is the InChIKey of ethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane?
The InChIKey is SZYBDYQIPOIVEV-FNXZNAJJSA-N. The full InChI is InChI=1S/C14H22O.C2H6/c1-4-8-13(5-2)11-15-14-10-7-6-9-12(14)3;1-2/h4-5,8,12,14H,1-2,6-7,9-11H2,3H3;1-2H3/b13-8+;.
What are the key properties of ethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane?
ethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane has a molecular weight of 236.40 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E)-2-ethenylpenta-2,4-dienoxy]-2-methylcyclohexane is sourced from PubChem (CID 143855395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).