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

C13H18S — CID 10035909

IUPAC10,10-dimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene
SMILESCC1(C)CC2=CCCC3=CSC(C1)C32
InChIInChI=1S/C13H18S/c1-13(2)6-9-4-3-5-10-8-14-11(7-13)12(9)10/h4,8,11-12H,3,5-7H2,1-2H3
InChIKeyKXSNZHFTMLAEQE-UHFFFAOYSA-N
MW206.35 g/mol
LogP4.14
Rot. Bonds

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

10,10-dimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene (PubChem CID 10035909) has the molecular formula C13H18S and a molecular weight of 206.35 g/mol. Its IUPAC name is 10,10-dimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene.

Molecular Properties

Compound Name10,10-dimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene
PubChem CID10035909
Molecular FormulaC13H18S
Molecular Weight206.35 g/mol
Exact Mass206.11
IUPAC Name10,10-dimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene
SMILESCC1(C)CC2=CCCC3=CSC(C1)C32
InChIInChI=1S/C13H18S/c1-13(2)6-9-4-3-5-10-8-14-11(7-13)12(9)10/h4,8,11-12H,3,5-7H2,1-2H3
InChIKeyKXSNZHFTMLAEQE-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 54.14
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-dimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene?
The IUPAC name of 10,10-dimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene (CID 10035909) is 10,10-dimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene.
What is the SMILES notation for 10,10-dimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene?
The canonical SMILES for 10,10-dimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene is CC1(C)CC2=CCCC3=CSC(C1)C32.
What is the InChIKey of 10,10-dimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene?
The InChIKey is KXSNZHFTMLAEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18S/c1-13(2)6-9-4-3-5-10-8-14-11(7-13)12(9)10/h4,8,11-12H,3,5-7H2,1-2H3.
What are the key properties of 10,10-dimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene?
10,10-dimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene has a molecular weight of 206.35 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-2-thiatricyclo[6.3.1.04,12]dodeca-3,7-diene is sourced from PubChem (CID 10035909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).