(2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane

C19H28O5S — CID 25209760

IUPAC(2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane
SMILESC=C(CCS(=O)(=O)c1ccccc1)C[C@@H](OCOCC)[C@@H]1CCCO1
InChIInChI=1S/C19H28O5S/c1-3-22-15-24-19(18-10-7-12-23-18)14-16(2)11-13-25(20,21)17-8-5-4-6-9-17/h4-6,8-9,18-19H,2-3,7,10-15H2,1H3/t18-,19+/m0/s1
InChIKeyAZBMDQRBPNAISZ-RBUKOAKNSA-N
MW368.50 g/mol
LogP3.35
Rot. Bonds11

About (2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane

(2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane (PubChem CID 25209760) has the molecular formula C19H28O5S and a molecular weight of 368.50 g/mol. Its IUPAC name is (2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane.

Molecular Properties

Compound Name(2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane
PubChem CID25209760
Molecular FormulaC19H28O5S
Molecular Weight368.50 g/mol
Exact Mass368.17
IUPAC Name(2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane
SMILESC=C(CCS(=O)(=O)c1ccccc1)C[C@@H](OCOCC)[C@@H]1CCCO1
InChIInChI=1S/C19H28O5S/c1-3-22-15-24-19(18-10-7-12-23-18)14-16(2)11-13-25(20,21)17-8-5-4-6-9-17/h4-6,8-9,18-19H,2-3,7,10-15H2,1H3/t18-,19+/m0/s1
InChIKeyAZBMDQRBPNAISZ-RBUKOAKNSA-N
XLogP3.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane?
The IUPAC name of (2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane (CID 25209760) is (2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane.
What is the SMILES notation for (2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane?
The canonical SMILES for (2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane is C=C(CCS(=O)(=O)c1ccccc1)C[C@@H](OCOCC)[C@@H]1CCCO1.
What is the InChIKey of (2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane?
The InChIKey is AZBMDQRBPNAISZ-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H28O5S/c1-3-22-15-24-19(18-10-7-12-23-18)14-16(2)11-13-25(20,21)17-8-5-4-6-9-17/h4-6,8-9,18-19H,2-3,7,10-15H2,1H3/t18-,19+/m0/s1.
What are the key properties of (2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane?
(2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane has a molecular weight of 368.50 g/mol, XLogP of 3.35, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-5-(benzenesulfonyl)-1-(ethoxymethoxy)-3-methylidenepentyl]oxolane is sourced from PubChem (CID 25209760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).