2-prop-2-enylpent-4-enyl methanesulfonate

C9H16O3S — CID 11117171

IUPAC2-prop-2-enylpent-4-enyl methanesulfonate
SMILESC=CCC(CC=C)COS(C)(=O)=O
InChIInChI=1S/C9H16O3S/c1-4-6-9(7-5-2)8-12-13(3,10)11/h4-5,9H,1-2,6-8H2,3H3
InChIKeyJVTSOZZZPYEVPA-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.73
Rot. Bonds7

About 2-prop-2-enylpent-4-enyl methanesulfonate

2-prop-2-enylpent-4-enyl methanesulfonate (PubChem CID 11117171) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-prop-2-enylpent-4-enyl methanesulfonate.

Molecular Properties

Compound Name2-prop-2-enylpent-4-enyl methanesulfonate
PubChem CID11117171
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name2-prop-2-enylpent-4-enyl methanesulfonate
SMILESC=CCC(CC=C)COS(C)(=O)=O
InChIInChI=1S/C9H16O3S/c1-4-6-9(7-5-2)8-12-13(3,10)11/h4-5,9H,1-2,6-8H2,3H3
InChIKeyJVTSOZZZPYEVPA-UHFFFAOYSA-N
XLogP1.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methylpent-4-enyl methanesulfonate
CID 11745194
Cyclopent-3-EN-1-ylmethyl methanesulfonate
CID 87111435
2-(Methylsulfonyloxymethyl)pent-4-enyl methanesulfonate
CID 140436202
[(3R)-3-prop-1-en-2-ylhept-6-enyl] methanesulfonate
CID 15609388
[(E,3R)-3-propan-2-ylhex-4-enyl] methanesulfonate
CID 125475581
Methanesulfonic acid 3,3-dimethyl-4-pentenyl ester
CID 14738110
3,3-Dimethylhex-5-enyl methanesulfonate
CID 59266373
[(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethyldocosa-4,7,10,13,16,19-hexaenyl] methanesulfonate
CID 59492206
[(2S)-2-methylpent-4-enyl] methanesulfonate
CID 71479619
2-Isopropenyl-5-methyl-4-hexen-1-yl methanesulfonate
CID 86626446
2-Cyclopent-3-en-1-ylethyl methanesulfonate
CID 87110896
Methyl 3-methylhex-5-ene-1-sulfonate
CID 88598313

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylpent-4-enyl methanesulfonate?
The IUPAC name of 2-prop-2-enylpent-4-enyl methanesulfonate (CID 11117171) is 2-prop-2-enylpent-4-enyl methanesulfonate.
What is the SMILES notation for 2-prop-2-enylpent-4-enyl methanesulfonate?
The canonical SMILES for 2-prop-2-enylpent-4-enyl methanesulfonate is C=CCC(CC=C)COS(C)(=O)=O.
What is the InChIKey of 2-prop-2-enylpent-4-enyl methanesulfonate?
The InChIKey is JVTSOZZZPYEVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c1-4-6-9(7-5-2)8-12-13(3,10)11/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of 2-prop-2-enylpent-4-enyl methanesulfonate?
2-prop-2-enylpent-4-enyl methanesulfonate has a molecular weight of 204.29 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylpent-4-enyl methanesulfonate is sourced from PubChem (CID 11117171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).