4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene

C20H30O2 — CID 14689112

IUPAC4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene
SMILESCCOC1CC(CC(C)CCC=C(C)C)c2ccccc2O1
InChIInChI=1S/C20H30O2/c1-5-21-20-14-17(13-16(4)10-8-9-15(2)3)18-11-6-7-12-19(18)22-20/h6-7,9,11-12,16-17,20H,5,8,10,13-14H2,1-4H3
InChIKeyNLTVNKRTAVEDSO-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.69
Rot. Bonds7

About 4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene

4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene (PubChem CID 14689112) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene
PubChem CID14689112
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene
SMILESCCOC1CC(CC(C)CCC=C(C)C)c2ccccc2O1
InChIInChI=1S/C20H30O2/c1-5-21-20-14-17(13-16(4)10-8-9-15(2)3)18-11-6-7-12-19(18)22-20/h6-7,9,11-12,16-17,20H,5,8,10,13-14H2,1-4H3
InChIKeyNLTVNKRTAVEDSO-UHFFFAOYSA-N
XLogP5.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene?
The IUPAC name of 4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene (CID 14689112) is 4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene is CCOC1CC(CC(C)CCC=C(C)C)c2ccccc2O1.
What is the InChIKey of 4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene?
The InChIKey is NLTVNKRTAVEDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-5-21-20-14-17(13-16(4)10-8-9-15(2)3)18-11-6-7-12-19(18)22-20/h6-7,9,11-12,16-17,20H,5,8,10,13-14H2,1-4H3.
What are the key properties of 4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene?
4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene has a molecular weight of 302.46 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylhept-5-enyl)-2-ethoxy-3,4-dihydro-2H-chromene is sourced from PubChem (CID 14689112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).