2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one

C15H16O2 — CID 134534186

IUPAC2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one
SMILESC/C=C\C(=C/C)C1=CC(=O)C2C=CC=CC2O1
InChIInChI=1S/C15H16O2/c1-3-7-11(4-2)15-10-13(16)12-8-5-6-9-14(12)17-15/h3-10,12,14H,1-2H3/b7-3-,11-4+
InChIKeyLSQGRRWXDQJVEF-VGQHJLIWSA-N
MW228.29 g/mol
LogP3.10
Rot. Bonds2

About 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one

2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one (PubChem CID 134534186) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one.

Molecular Properties

Compound Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one
PubChem CID134534186
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one
SMILESC/C=C\C(=C/C)C1=CC(=O)C2C=CC=CC2O1
InChIInChI=1S/C15H16O2/c1-3-7-11(4-2)15-10-13(16)12-8-5-6-9-14(12)17-15/h3-10,12,14H,1-2H3/b7-3-,11-4+
InChIKeyLSQGRRWXDQJVEF-VGQHJLIWSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.10
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 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one?
The IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one (CID 134534186) is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one.
What is the SMILES notation for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one?
The canonical SMILES for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one is C/C=C\C(=C/C)C1=CC(=O)C2C=CC=CC2O1.
What is the InChIKey of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one?
The InChIKey is LSQGRRWXDQJVEF-VGQHJLIWSA-N. The full InChI is InChI=1S/C15H16O2/c1-3-7-11(4-2)15-10-13(16)12-8-5-6-9-14(12)17-15/h3-10,12,14H,1-2H3/b7-3-,11-4+.
What are the key properties of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one?
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one has a molecular weight of 228.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4a,8a-dihydrochromen-4-one is sourced from PubChem (CID 134534186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).