1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride

C12H16Cl2O2 — CID 91714906

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride
SMILESO=C(Cl)C1CCC2CCC(C(=O)Cl)CC2C1
InChIInChI=1S/C12H16Cl2O2/c13-11(15)8-3-1-7-2-4-9(12(14)16)6-10(7)5-8/h7-10H,1-6H2
InChIKeyOPNLALCWCNPIOS-UHFFFAOYSA-N
MW263.16 g/mol
LogP3.35
Rot. Bonds2

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride (PubChem CID 91714906) has the molecular formula C12H16Cl2O2 and a molecular weight of 263.16 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride
PubChem CID91714906
Molecular FormulaC12H16Cl2O2
Molecular Weight263.16 g/mol
Exact Mass262.05
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride
SMILESO=C(Cl)C1CCC2CCC(C(=O)Cl)CC2C1
InChIInChI=1S/C12H16Cl2O2/c13-11(15)8-3-1-7-2-4-9(12(14)16)6-10(7)5-8/h7-10H,1-6H2
InChIKeyOPNLALCWCNPIOS-UHFFFAOYSA-N
XLogP3.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride (CID 91714906) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride is O=C(Cl)C1CCC2CCC(C(=O)Cl)CC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride?
The InChIKey is OPNLALCWCNPIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O2/c13-11(15)8-3-1-7-2-4-9(12(14)16)6-10(7)5-8/h7-10H,1-6H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride has a molecular weight of 263.16 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,7-dicarbonyl chloride is sourced from PubChem (CID 91714906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).