(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran

C18H26O4S — CID 11186799

IUPAC(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran
SMILESCCOC1C=CC[C@@H](C[C@@H](C)CCS(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C18H26O4S/c1-3-21-18-11-7-8-16(22-18)14-15(2)12-13-23(19,20)17-9-5-4-6-10-17/h4-7,9-11,15-16,18H,3,8,12-14H2,1-2H3/t15-,16-,18?/m0/s1
InChIKeyQBKWVXMYVYTYFA-MZQXSQAVSA-N
MW338.47 g/mol
LogP3.58
Rot. Bonds8

About (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran

(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran (PubChem CID 11186799) has the molecular formula C18H26O4S and a molecular weight of 338.47 g/mol. Its IUPAC name is (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran
PubChem CID11186799
Molecular FormulaC18H26O4S
Molecular Weight338.47 g/mol
Exact Mass338.16
IUPAC Name(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran
SMILESCCOC1C=CC[C@@H](C[C@@H](C)CCS(=O)(=O)c2ccccc2)O1
InChIInChI=1S/C18H26O4S/c1-3-21-18-11-7-8-16(22-18)14-15(2)12-13-23(19,20)17-9-5-4-6-10-17/h4-7,9-11,15-16,18H,3,8,12-14H2,1-2H3/t15-,16-,18?/m0/s1
InChIKeyQBKWVXMYVYTYFA-MZQXSQAVSA-N
XLogP3.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran?
The IUPAC name of (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran (CID 11186799) is (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran?
The canonical SMILES for (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran is CCOC1C=CC[C@@H](C[C@@H](C)CCS(=O)(=O)c2ccccc2)O1.
What is the InChIKey of (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran?
The InChIKey is QBKWVXMYVYTYFA-MZQXSQAVSA-N. The full InChI is InChI=1S/C18H26O4S/c1-3-21-18-11-7-8-16(22-18)14-15(2)12-13-23(19,20)17-9-5-4-6-10-17/h4-7,9-11,15-16,18H,3,8,12-14H2,1-2H3/t15-,16-,18?/m0/s1.
What are the key properties of (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran?
(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran has a molecular weight of 338.47 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]-6-ethoxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11186799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).