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

C14H26OS — CID 170357826

IUPAC(6Z)-8,9,10-trimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
SMILESCC(C)C1OC(C)C(C)C(C)/C=C\CCS1
InChIInChI=1S/C14H26OS/c1-10(2)14-15-13(5)12(4)11(3)8-6-7-9-16-14/h6,8,10-14H,7,9H2,1-5H3/b8-6-
InChIKeyQNOIOFCSDHWEBR-VURMDHGXSA-N
MW242.43 g/mol
LogP4.34
Rot. Bonds1

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

(6Z)-8,9,10-trimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine (PubChem CID 170357826) has the molecular formula C14H26OS and a molecular weight of 242.43 g/mol. Its IUPAC name is (6Z)-8,9,10-trimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine.

Molecular Properties

Compound Name(6Z)-8,9,10-trimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
PubChem CID170357826
Molecular FormulaC14H26OS
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(6Z)-8,9,10-trimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
SMILESCC(C)C1OC(C)C(C)C(C)/C=C\CCS1
InChIInChI=1S/C14H26OS/c1-10(2)14-15-13(5)12(4)11(3)8-6-7-9-16-14/h6,8,10-14H,7,9H2,1-5H3/b8-6-
InChIKeyQNOIOFCSDHWEBR-VURMDHGXSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6Z)-8,9,10-trimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6Z)-8,9,10-trimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
The IUPAC name of (6Z)-8,9,10-trimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine (CID 170357826) is (6Z)-8,9,10-trimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine.
What is the SMILES notation for (6Z)-8,9,10-trimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
The canonical SMILES for (6Z)-8,9,10-trimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine is CC(C)C1OC(C)C(C)C(C)/C=C\CCS1.
What is the InChIKey of (6Z)-8,9,10-trimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
The InChIKey is QNOIOFCSDHWEBR-VURMDHGXSA-N. The full InChI is InChI=1S/C14H26OS/c1-10(2)14-15-13(5)12(4)11(3)8-6-7-9-16-14/h6,8,10-14H,7,9H2,1-5H3/b8-6-.
What are the key properties of (6Z)-8,9,10-trimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
(6Z)-8,9,10-trimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine has a molecular weight of 242.43 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 (6Z)-8,9,10-trimethyl-2-propan-2-yl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine is sourced from PubChem (CID 170357826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).