(5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine

C15H26OS — CID 170357843

IUPAC(5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine
SMILESCC(C)C1OC2C(C)CC(C)C2C/C=C\CS1
InChIInChI=1S/C15H26OS/c1-10(2)15-16-14-12(4)9-11(3)13(14)7-5-6-8-17-15/h5-6,10-15H,7-9H2,1-4H3/b6-5-
InChIKeyULXDIQUYILZUBH-WAYWQWQTSA-N
MW254.44 g/mol
LogP4.34
Rot. Bonds1

About (5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine

(5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine (PubChem CID 170357843) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is (5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine.

Molecular Properties

Compound Name(5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine
PubChem CID170357843
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name(5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine
SMILESCC(C)C1OC2C(C)CC(C)C2C/C=C\CS1
InChIInChI=1S/C15H26OS/c1-10(2)15-16-14-12(4)9-11(3)13(14)7-5-6-8-17-15/h5-6,10-15H,7-9H2,1-4H3/b6-5-
InChIKeyULXDIQUYILZUBH-WAYWQWQTSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.34
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 (5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine?
The IUPAC name of (5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine (CID 170357843) is (5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine.
What is the SMILES notation for (5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine?
The canonical SMILES for (5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine is CC(C)C1OC2C(C)CC(C)C2C/C=C\CS1.
What is the InChIKey of (5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine?
The InChIKey is ULXDIQUYILZUBH-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H26OS/c1-10(2)15-16-14-12(4)9-11(3)13(14)7-5-6-8-17-15/h5-6,10-15H,7-9H2,1-4H3/b6-5-.
What are the key properties of (5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine?
(5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine has a molecular weight of 254.44 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-8,10-dimethyl-2-propan-2-yl-7,7a,8,9,10,10a-hexahydro-4H-cyclopenta[h][1,3]oxathionine is sourced from PubChem (CID 170357843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).