1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid

C18H25ClO3S — CID 163475052

IUPAC1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid
SMILESCC(C)Cc1ccc2ccccc2c1CC(C)C.O=S(=O)(O)Cl
InChIInChI=1S/C18H24.ClHO3S/c1-13(2)11-16-10-9-15-7-5-6-8-17(15)18(16)12-14(3)4;1-5(2,3)4/h5-10,13-14H,11-12H2,1-4H3;(H,2,3,4)
InChIKeyBZSYXYPLCUCAFJ-UHFFFAOYSA-N
MW356.92 g/mol
LogP5.26
Rot. Bonds4

About 1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid

1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid (PubChem CID 163475052) has the molecular formula C18H25ClO3S and a molecular weight of 356.92 g/mol. Its IUPAC name is 1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid.

Molecular Properties

Compound Name1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid
PubChem CID163475052
Molecular FormulaC18H25ClO3S
Molecular Weight356.92 g/mol
Exact Mass356.12
IUPAC Name1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid
SMILESCC(C)Cc1ccc2ccccc2c1CC(C)C.O=S(=O)(O)Cl
InChIInChI=1S/C18H24.ClHO3S/c1-13(2)11-16-10-9-15-7-5-6-8-17(15)18(16)12-14(3)4;1-5(2,3)4/h5-10,13-14H,11-12H2,1-4H3;(H,2,3,4)
InChIKeyBZSYXYPLCUCAFJ-UHFFFAOYSA-N
XLogP5.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.92
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;1,3-bis(2-methylpropyl)naphthalene-2-sulfonic acid;hydride
CID 174299433
disodium;1,2-bis(2-methylpropyl)naphthalene;dodecyl hydrogen sulfate;2-octylphenol;sulfate
CID 159963317
CID 70129148
CID 70129148
methyl 2-(2-methylpropyl)naphthalene-1-carboxylate
CID 141020633
[1-(sulfomethyl)naphthalen-2-yl]methanesulfonic acid;hydrate
CID 166064119
3-(2-methylpropyl)-1-benzofuran-2-sulfonyl chloride
CID 98770576
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
1,2-di(pentadecyl)naphthalene;sulfuric acid
CID 172768972
7-(2-methylpropyl)-4-[7-(2-methylpropyl)benzo[a]anthracen-4-yl]benzo[a]anthracene
CID 123766662
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
1-methylnaphthalene-2-sulfonic acid;2-methylpropane
CID 143894377
[4-hydroxy-2,3-bis(2-methylpropyl)phenyl]methanesulfonic acid
CID 158148866

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid?
The IUPAC name of 1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid (CID 163475052) is 1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid.
What is the SMILES notation for 1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid?
The canonical SMILES for 1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid is CC(C)Cc1ccc2ccccc2c1CC(C)C.O=S(=O)(O)Cl.
What is the InChIKey of 1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid?
The InChIKey is BZSYXYPLCUCAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24.ClHO3S/c1-13(2)11-16-10-9-15-7-5-6-8-17(15)18(16)12-14(3)4;1-5(2,3)4/h5-10,13-14H,11-12H2,1-4H3;(H,2,3,4).
What are the key properties of 1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid?
1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid has a molecular weight of 356.92 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylpropyl)naphthalene;sulfurochloridic acid is sourced from PubChem (CID 163475052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).