4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene

C19H26Br2O — CID 67854586

IUPAC4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene
SMILESCCCCCCCCOC1=C2CC=CC(=C(Br)Br)C2CC=C1
InChIInChI=1S/C19H26Br2O/c1-2-3-4-5-6-7-14-22-18-13-9-10-15-16(18)11-8-12-17(15)19(20)21/h8-9,12-13,15H,2-7,10-11,14H2,1H3
InChIKeyHISKAMSLESIYJX-UHFFFAOYSA-N
MW430.22 g/mol
LogP7.16
Rot. Bonds8

About 4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene

4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene (PubChem CID 67854586) has the molecular formula C19H26Br2O and a molecular weight of 430.22 g/mol. Its IUPAC name is 4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene.

Molecular Properties

Compound Name4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene
PubChem CID67854586
Molecular FormulaC19H26Br2O
Molecular Weight430.22 g/mol
Exact Mass428.04
IUPAC Name4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene
SMILESCCCCCCCCOC1=C2CC=CC(=C(Br)Br)C2CC=C1
InChIInChI=1S/C19H26Br2O/c1-2-3-4-5-6-7-14-22-18-13-9-10-15-16(18)11-8-12-17(15)19(20)21/h8-9,12-13,15H,2-7,10-11,14H2,1H3
InChIKeyHISKAMSLESIYJX-UHFFFAOYSA-N
XLogP7.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.22
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene?
The IUPAC name of 4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene (CID 67854586) is 4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene.
What is the SMILES notation for 4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene?
The canonical SMILES for 4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene is CCCCCCCCOC1=C2CC=CC(=C(Br)Br)C2CC=C1.
What is the InChIKey of 4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene?
The InChIKey is HISKAMSLESIYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Br2O/c1-2-3-4-5-6-7-14-22-18-13-9-10-15-16(18)11-8-12-17(15)19(20)21/h8-9,12-13,15H,2-7,10-11,14H2,1H3.
What are the key properties of 4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene?
4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene has a molecular weight of 430.22 g/mol, XLogP of 7.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibromomethylidene)-8-octoxy-4a,5-dihydro-1H-naphthalene is sourced from PubChem (CID 67854586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).