7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one

C18H24O3 — CID 107007272

IUPAC7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one
SMILESC=CCCCCCOc1ccc2c(c1)OC(C)(C)CC2=O
InChIInChI=1S/C18H24O3/c1-4-5-6-7-8-11-20-14-9-10-15-16(19)13-18(2,3)21-17(15)12-14/h4,9-10,12H,1,5-8,11,13H2,2-3H3
InChIKeyQRBLDSQBDUXRSI-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.56
Rot. Bonds7

About 7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one

7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one (PubChem CID 107007272) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one
PubChem CID107007272
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one
SMILESC=CCCCCCOc1ccc2c(c1)OC(C)(C)CC2=O
InChIInChI=1S/C18H24O3/c1-4-5-6-7-8-11-20-14-9-10-15-16(19)13-18(2,3)21-17(15)12-14/h4,9-10,12H,1,5-8,11,13H2,2-3H3
InChIKeyQRBLDSQBDUXRSI-UHFFFAOYSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one?
The IUPAC name of 7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one (CID 107007272) is 7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one.
What is the SMILES notation for 7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one?
The canonical SMILES for 7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one is C=CCCCCCOc1ccc2c(c1)OC(C)(C)CC2=O.
What is the InChIKey of 7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one?
The InChIKey is QRBLDSQBDUXRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-4-5-6-7-8-11-20-14-9-10-15-16(19)13-18(2,3)21-17(15)12-14/h4,9-10,12H,1,5-8,11,13H2,2-3H3.
What are the key properties of 7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one?
7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one has a molecular weight of 288.39 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hept-6-enoxy-2,2-dimethyl-3H-chromen-4-one is sourced from PubChem (CID 107007272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).