5-naphthalen-1-ylpentyl methanesulfonate

C16H20O3S — CID 19955547

IUPAC5-naphthalen-1-ylpentyl methanesulfonate
SMILESCS(=O)(=O)OCCCCCc1cccc2ccccc12
InChIInChI=1S/C16H20O3S/c1-20(17,18)19-13-6-2-3-8-14-10-7-11-15-9-4-5-12-16(14)15/h4-5,7,9-12H,2-3,6,8,13H2,1H3
InChIKeyWWHXCSLYTRDZMT-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.53
Rot. Bonds7

About 5-naphthalen-1-ylpentyl methanesulfonate

5-naphthalen-1-ylpentyl methanesulfonate (PubChem CID 19955547) has the molecular formula C16H20O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-naphthalen-1-ylpentyl methanesulfonate.

Molecular Properties

Compound Name5-naphthalen-1-ylpentyl methanesulfonate
PubChem CID19955547
Molecular FormulaC16H20O3S
Molecular Weight292.40 g/mol
Exact Mass292.11
IUPAC Name5-naphthalen-1-ylpentyl methanesulfonate
SMILESCS(=O)(=O)OCCCCCc1cccc2ccccc12
InChIInChI=1S/C16H20O3S/c1-20(17,18)19-13-6-2-3-8-14-10-7-11-15-9-4-5-12-16(14)15/h4-5,7,9-12H,2-3,6,8,13H2,1H3
InChIKeyWWHXCSLYTRDZMT-UHFFFAOYSA-N
XLogP3.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

12-pyren-1-yldodecyl methanesulfonate
CID 54472253
4-(1-methylindol-3-yl)butyl methanesulfonate
CID 10107768
1-(4-methoxybutyl)naphthalene
CID 69278949
3-pyren-1-ylpropyl methanesulfonate
CID 11348336
1-nonylnaphthalene;sulfuric acid
CID 154996092
1-nonylnaphthalene;sulfuric acid
CID 172712573
1-octadecylnaphthalene;sulfuric acid
CID 172709808
1-tetradecylnaphthalene
CID 14402128
3-(2-bromophenyl)propyl methanesulfonate
CID 15364879
1-pentylnaphthalene;sulfuric acid
CID 172842201
sodium;hydride;1-nonylnaphthalene;sulfuric acid
CID 173181900
(2-methylsulfonyloxy-4-naphthalen-1-ylbutyl) methanesulfonate
CID 15280577

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-ylpentyl methanesulfonate?
The IUPAC name of 5-naphthalen-1-ylpentyl methanesulfonate (CID 19955547) is 5-naphthalen-1-ylpentyl methanesulfonate.
What is the SMILES notation for 5-naphthalen-1-ylpentyl methanesulfonate?
The canonical SMILES for 5-naphthalen-1-ylpentyl methanesulfonate is CS(=O)(=O)OCCCCCc1cccc2ccccc12.
What is the InChIKey of 5-naphthalen-1-ylpentyl methanesulfonate?
The InChIKey is WWHXCSLYTRDZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3S/c1-20(17,18)19-13-6-2-3-8-14-10-7-11-15-9-4-5-12-16(14)15/h4-5,7,9-12H,2-3,6,8,13H2,1H3.
What are the key properties of 5-naphthalen-1-ylpentyl methanesulfonate?
5-naphthalen-1-ylpentyl methanesulfonate has a molecular weight of 292.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-ylpentyl methanesulfonate is sourced from PubChem (CID 19955547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).