(6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine

C15H28OS — CID 170357722

IUPAC(6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
SMILESCCC(C)C1OC(C)SCC/C=C\C(C)C1C
InChIInChI=1S/C15H28OS/c1-6-11(2)15-13(4)12(3)9-7-8-10-17-14(5)16-15/h7,9,11-15H,6,8,10H2,1-5H3/b9-7-
InChIKeyBHDXXIIMAMHQIL-CLFYSBASSA-N
MW256.45 g/mol
LogP4.73
Rot. Bonds2

About (6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine

(6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine (PubChem CID 170357722) has the molecular formula C15H28OS and a molecular weight of 256.45 g/mol. Its IUPAC name is (6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine.

Molecular Properties

Compound Name(6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
PubChem CID170357722
Molecular FormulaC15H28OS
Molecular Weight256.45 g/mol
Exact Mass256.19
IUPAC Name(6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
SMILESCCC(C)C1OC(C)SCC/C=C\C(C)C1C
InChIInChI=1S/C15H28OS/c1-6-11(2)15-13(4)12(3)9-7-8-10-17-14(5)16-15/h7,9,11-15H,6,8,10H2,1-5H3/b9-7-
InChIKeyBHDXXIIMAMHQIL-CLFYSBASSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.45
LogP ≤ 54.73
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 (6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
The IUPAC name of (6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine (CID 170357722) is (6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine.
What is the SMILES notation for (6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
The canonical SMILES for (6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine is CCC(C)C1OC(C)SCC/C=C\C(C)C1C.
What is the InChIKey of (6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
The InChIKey is BHDXXIIMAMHQIL-CLFYSBASSA-N. The full InChI is InChI=1S/C15H28OS/c1-6-11(2)15-13(4)12(3)9-7-8-10-17-14(5)16-15/h7,9,11-15H,6,8,10H2,1-5H3/b9-7-.
What are the key properties of (6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
(6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine has a molecular weight of 256.45 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-10-butan-2-yl-2,8,9-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine is sourced from PubChem (CID 170357722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).