6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene

C19H30O4 — CID 170004659

IUPAC6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene
SMILESCCOCCCOCCCCCOc1ccc2c(c1)CCCO2
InChIInChI=1S/C19H30O4/c1-2-20-12-7-13-21-11-4-3-5-14-22-18-9-10-19-17(16-18)8-6-15-23-19/h9-10,16H,2-8,11-15H2,1H3
InChIKeyJUALHRAUVFAVFT-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.00
Rot. Bonds12

About 6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene

6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene (PubChem CID 170004659) has the molecular formula C19H30O4 and a molecular weight of 322.45 g/mol. Its IUPAC name is 6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene
PubChem CID170004659
Molecular FormulaC19H30O4
Molecular Weight322.45 g/mol
Exact Mass322.21
IUPAC Name6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene
SMILESCCOCCCOCCCCCOc1ccc2c(c1)CCCO2
InChIInChI=1S/C19H30O4/c1-2-20-12-7-13-21-11-4-3-5-14-22-18-9-10-19-17(16-18)8-6-15-23-19/h9-10,16H,2-8,11-15H2,1H3
InChIKeyJUALHRAUVFAVFT-UHFFFAOYSA-N
XLogP4.00
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene (CID 170004659) is 6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene is CCOCCCOCCCCCOc1ccc2c(c1)CCCO2.
What is the InChIKey of 6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene?
The InChIKey is JUALHRAUVFAVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4/c1-2-20-12-7-13-21-11-4-3-5-14-22-18-9-10-19-17(16-18)8-6-15-23-19/h9-10,16H,2-8,11-15H2,1H3.
What are the key properties of 6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene?
6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene has a molecular weight of 322.45 g/mol, XLogP of 4.00, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-ethoxypropoxy)pentoxy]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 170004659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).