10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene

C14H20S — CID 10262923

IUPAC10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene
SMILESCC1(C)CC2=CCCC3=CSC(C1)C32C
InChIInChI=1S/C14H20S/c1-13(2)7-10-5-4-6-11-9-15-12(8-13)14(10,11)3/h5,9,12H,4,6-8H2,1-3H3
InChIKeyMAYCFYRJVYCZCX-UHFFFAOYSA-N
MW220.38 g/mol
LogP4.53
Rot. Bonds

About 10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene

10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene (PubChem CID 10262923) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is 10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene.

Molecular Properties

Compound Name10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene
PubChem CID10262923
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene
SMILESCC1(C)CC2=CCCC3=CSC(C1)C32C
InChIInChI=1S/C14H20S/c1-13(2)7-10-5-4-6-11-9-15-12(8-13)14(10,11)3/h5,9,12H,4,6-8H2,1-3H3
InChIKeyMAYCFYRJVYCZCX-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene?
The IUPAC name of 10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene (CID 10262923) is 10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene.
What is the SMILES notation for 10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene?
The canonical SMILES for 10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene is CC1(C)CC2=CCCC3=CSC(C1)C32C.
What is the InChIKey of 10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene?
The InChIKey is MAYCFYRJVYCZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S/c1-13(2)7-10-5-4-6-11-9-15-12(8-13)14(10,11)3/h5,9,12H,4,6-8H2,1-3H3.
What are the key properties of 10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene?
10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene has a molecular weight of 220.38 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,12-trimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene is sourced from PubChem (CID 10262923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).