2-[(3E)-hexa-3,5-dien-2-yl]oxolane

C10H16O — CID 88882171

IUPAC2-[(3E)-hexa-3,5-dien-2-yl]oxolane
SMILESC=C/C=C/C(C)C1CCCO1
InChIInChI=1S/C10H16O/c1-3-4-6-9(2)10-7-5-8-11-10/h3-4,6,9-10H,1,5,7-8H2,2H3/b6-4+
InChIKeyNRZKDONGBIAVQD-GQCTYLIASA-N
MW152.24 g/mol
LogP2.54
Rot. Bonds3

About 2-[(3E)-hexa-3,5-dien-2-yl]oxolane

2-[(3E)-hexa-3,5-dien-2-yl]oxolane (PubChem CID 88882171) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-[(3E)-hexa-3,5-dien-2-yl]oxolane.

Molecular Properties

Compound Name2-[(3E)-hexa-3,5-dien-2-yl]oxolane
PubChem CID88882171
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-[(3E)-hexa-3,5-dien-2-yl]oxolane
SMILESC=C/C=C/C(C)C1CCCO1
InChIInChI=1S/C10H16O/c1-3-4-6-9(2)10-7-5-8-11-10/h3-4,6,9-10H,1,5,7-8H2,2H3/b6-4+
InChIKeyNRZKDONGBIAVQD-GQCTYLIASA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.54
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 2-[(3E)-hexa-3,5-dien-2-yl]oxolane?
The IUPAC name of 2-[(3E)-hexa-3,5-dien-2-yl]oxolane (CID 88882171) is 2-[(3E)-hexa-3,5-dien-2-yl]oxolane.
What is the SMILES notation for 2-[(3E)-hexa-3,5-dien-2-yl]oxolane?
The canonical SMILES for 2-[(3E)-hexa-3,5-dien-2-yl]oxolane is C=C/C=C/C(C)C1CCCO1.
What is the InChIKey of 2-[(3E)-hexa-3,5-dien-2-yl]oxolane?
The InChIKey is NRZKDONGBIAVQD-GQCTYLIASA-N. The full InChI is InChI=1S/C10H16O/c1-3-4-6-9(2)10-7-5-8-11-10/h3-4,6,9-10H,1,5,7-8H2,2H3/b6-4+.
What are the key properties of 2-[(3E)-hexa-3,5-dien-2-yl]oxolane?
2-[(3E)-hexa-3,5-dien-2-yl]oxolane has a molecular weight of 152.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-hexa-3,5-dien-2-yl]oxolane is sourced from PubChem (CID 88882171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).