dioxomolybdenum;dodecylbenzene

C18H29MoO2- — CID 170645703

IUPACdioxomolybdenum;dodecylbenzene
SMILESCCCCCCCCCCCCc1[c-]cccc1.O=[Mo]=O
InChIInChI=1S/C18H29.Mo.2O/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;;;
InChIKeyKUTCWOJENFXDJF-UHFFFAOYSA-N
MW373.37 g/mol
LogP5.71
Rot. Bonds11

About dioxomolybdenum;dodecylbenzene

dioxomolybdenum;dodecylbenzene (PubChem CID 170645703) has the molecular formula C18H29MoO2- and a molecular weight of 373.37 g/mol. Its IUPAC name is dioxomolybdenum;dodecylbenzene.

Molecular Properties

Compound Namedioxomolybdenum;dodecylbenzene
PubChem CID170645703
Molecular FormulaC18H29MoO2-
Molecular Weight373.37 g/mol
Exact Mass375.12
IUPAC Namedioxomolybdenum;dodecylbenzene
SMILESCCCCCCCCCCCCc1[c-]cccc1.O=[Mo]=O
InChIInChI=1S/C18H29.Mo.2O/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;;;
InChIKeyKUTCWOJENFXDJF-UHFFFAOYSA-N
XLogP5.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.37
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

lithium dodecylbenzene
CID 140587981
dodecylbenzene;molybdenum
CID 174580500
magnesium;octylbenzene;chloride
CID 88593205
sodium;decylbenzene;propanedioic acid
CID 174968000
trizinc;dioxido-sulfanylidene-sulfido-λ5-phosphane;dodecylbenzene
CID 162265086
4-phenylbutanoic acid;tungsten(2+)
CID 172532886
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
1-ethyl-2-henicosylbenzene
CID 141174443

Frequently Asked Questions

What is the IUPAC name of dioxomolybdenum;dodecylbenzene?
The IUPAC name of dioxomolybdenum;dodecylbenzene (CID 170645703) is dioxomolybdenum;dodecylbenzene.
What is the SMILES notation for dioxomolybdenum;dodecylbenzene?
The canonical SMILES for dioxomolybdenum;dodecylbenzene is CCCCCCCCCCCCc1[c-]cccc1.O=[Mo]=O.
What is the InChIKey of dioxomolybdenum;dodecylbenzene?
The InChIKey is KUTCWOJENFXDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29.Mo.2O/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 dioxomolybdenum;dodecylbenzene?
dioxomolybdenum;dodecylbenzene has a molecular weight of 373.37 g/mol, XLogP of 5.71, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dioxomolybdenum;dodecylbenzene is sourced from PubChem (CID 170645703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).