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

C11H20OS — CID 170357794

IUPAC(6Z)-2,9,10-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
SMILESCC1OC(C)C(C)C/C=C\CCS1
InChIInChI=1S/C11H20OS/c1-9-7-5-4-6-8-13-11(3)12-10(9)2/h4-5,9-11H,6-8H2,1-3H3/b5-4-
InChIKeyDVTSYFVCNBTLKQ-PLNGDYQASA-N
MW200.35 g/mol
LogP3.46
Rot. Bonds

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

(6Z)-2,9,10-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine (PubChem CID 170357794) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is (6Z)-2,9,10-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine.

Molecular Properties

Compound Name(6Z)-2,9,10-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
PubChem CID170357794
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(6Z)-2,9,10-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine
SMILESCC1OC(C)C(C)C/C=C\CCS1
InChIInChI=1S/C11H20OS/c1-9-7-5-4-6-8-13-11(3)12-10(9)2/h4-5,9-11H,6-8H2,1-3H3/b5-4-
InChIKeyDVTSYFVCNBTLKQ-PLNGDYQASA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.46
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)-2,9,10-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
The IUPAC name of (6Z)-2,9,10-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine (CID 170357794) is (6Z)-2,9,10-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine.
What is the SMILES notation for (6Z)-2,9,10-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
The canonical SMILES for (6Z)-2,9,10-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine is CC1OC(C)C(C)C/C=C\CCS1.
What is the InChIKey of (6Z)-2,9,10-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
The InChIKey is DVTSYFVCNBTLKQ-PLNGDYQASA-N. The full InChI is InChI=1S/C11H20OS/c1-9-7-5-4-6-8-13-11(3)12-10(9)2/h4-5,9-11H,6-8H2,1-3H3/b5-4-.
What are the key properties of (6Z)-2,9,10-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine?
(6Z)-2,9,10-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine has a molecular weight of 200.35 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2,9,10-trimethyl-5,8,9,10-tetrahydro-4H-1,3-oxathiecine is sourced from PubChem (CID 170357794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).