dodecylbenzene;molybdenum

C18H29Mo- — CID 174580500

IUPACdodecylbenzene;molybdenum
SMILESCCCCCCCCCCCCc1[c-]cccc1.[Mo]
InChIInChI=1S/C18H29.Mo/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16H,2-10,12,15H2,1H3;/q-1;
InChIKeyUQUVWTKJAWFGES-UHFFFAOYSA-N
MW341.37 g/mol
LogP5.95
Rot. Bonds11

About dodecylbenzene;molybdenum

dodecylbenzene;molybdenum (PubChem CID 174580500) has the molecular formula C18H29Mo- and a molecular weight of 341.37 g/mol. Its IUPAC name is dodecylbenzene;molybdenum.

Molecular Properties

Compound Namedodecylbenzene;molybdenum
PubChem CID174580500
Molecular FormulaC18H29Mo-
Molecular Weight341.37 g/mol
Exact Mass343.13
IUPAC Namedodecylbenzene;molybdenum
SMILESCCCCCCCCCCCCc1[c-]cccc1.[Mo]
InChIInChI=1S/C18H29.Mo/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16H,2-10,12,15H2,1H3;/q-1;
InChIKeyUQUVWTKJAWFGES-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.37
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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sodium;decylbenzene;propanedioic acid
CID 174968000
phenylmethylbenzene;tungsten(2+)
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bromozinc(1+);N-butyl-N-(phenylmethyl)butan-1-amine
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1-dodecyl-2-hexylbenzene
CID 19371073
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1-nonyl-2-pentylbenzene
CID 54050070
1,2-di(undecyl)benzene
CID 3019479

Frequently Asked Questions

What is the IUPAC name of dodecylbenzene;molybdenum?
The IUPAC name of dodecylbenzene;molybdenum (CID 174580500) is dodecylbenzene;molybdenum.
What is the SMILES notation for dodecylbenzene;molybdenum?
The canonical SMILES for dodecylbenzene;molybdenum is CCCCCCCCCCCCc1[c-]cccc1.[Mo].
What is the InChIKey of dodecylbenzene;molybdenum?
The InChIKey is UQUVWTKJAWFGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29.Mo/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16H,2-10,12,15H2,1H3;/q-1;.
What are the key properties of dodecylbenzene;molybdenum?
dodecylbenzene;molybdenum has a molecular weight of 341.37 g/mol, XLogP of 5.95, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylbenzene;molybdenum is sourced from PubChem (CID 174580500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).