1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese

C11H18MnO2 — CID 70185276

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese
SMILESO=C(O)C1CCCC2CCCCC21.[Mn]
InChIInChI=1S/C11H18O2.Mn/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;/h8-10H,1-7H2,(H,12,13);
InChIKeyYSCPLODNEWCZGI-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.67
Rot. Bonds1

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese (PubChem CID 70185276) has the molecular formula C11H18MnO2 and a molecular weight of 237.20 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese
PubChem CID70185276
Molecular FormulaC11H18MnO2
Molecular Weight237.20 g/mol
Exact Mass237.07
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese
SMILESO=C(O)C1CCCC2CCCCC21.[Mn]
InChIInChI=1S/C11H18O2.Mn/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;/h8-10H,1-7H2,(H,12,13);
InChIKeyYSCPLODNEWCZGI-UHFFFAOYSA-N
XLogP2.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese (CID 70185276) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese is O=C(O)C1CCCC2CCCCC21.[Mn].
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese?
The InChIKey is YSCPLODNEWCZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2.Mn/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;/h8-10H,1-7H2,(H,12,13);.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese has a molecular weight of 237.20 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese is sourced from PubChem (CID 70185276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).