(6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine

C17H32OS — CID 170357515

IUPAC(6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
SMILESCCC(C)C1OC(C(C)C)SCC/C=C/C(C)C1C
InChIInChI=1S/C17H32OS/c1-7-13(4)16-15(6)14(5)10-8-9-11-19-17(18-16)12(2)3/h8,10,12-17H,7,9,11H2,1-6H3/b10-8+
InChIKeyOYVWSKWOKYIACB-CSKARUKUSA-N
MW284.51 g/mol
LogP5.37
Rot. Bonds3

About (6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine

(6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine (PubChem CID 170357515) has the molecular formula C17H32OS and a molecular weight of 284.51 g/mol. Its IUPAC name is (6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine.

Molecular Properties

Compound Name(6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
PubChem CID170357515
Molecular FormulaC17H32OS
Molecular Weight284.51 g/mol
Exact Mass284.22
IUPAC Name(6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
SMILESCCC(C)C1OC(C(C)C)SCC/C=C/C(C)C1C
InChIInChI=1S/C17H32OS/c1-7-13(4)16-15(6)14(5)10-8-9-11-19-17(18-16)12(2)3/h8,10,12-17H,7,9,11H2,1-6H3/b10-8+
InChIKeyOYVWSKWOKYIACB-CSKARUKUSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.51
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
The IUPAC name of (6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine (CID 170357515) is (6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine.
What is the SMILES notation for (6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
The canonical SMILES for (6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine is CCC(C)C1OC(C(C)C)SCC/C=C/C(C)C1C.
What is the InChIKey of (6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
The InChIKey is OYVWSKWOKYIACB-CSKARUKUSA-N. The full InChI is InChI=1S/C17H32OS/c1-7-13(4)16-15(6)14(5)10-8-9-11-19-17(18-16)12(2)3/h8,10,12-17H,7,9,11H2,1-6H3/b10-8+.
What are the key properties of (6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
(6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine has a molecular weight of 284.51 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-10-butan-2-yl-8,9-dimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine is sourced from PubChem (CID 170357515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).