(3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene

C15H24S — CID 165352523

IUPAC(3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene
SMILESC/C1=C/CC/C(C)=C/CC(C)(C)C2SC2C1
InChIInChI=1S/C15H24S/c1-11-6-5-7-12(2)10-13-14(16-13)15(3,4)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3/b11-8+,12-7-
InChIKeySVXFQANDXQPHJI-OHJCXFAUSA-N
MW236.42 g/mol
LogP4.96
Rot. Bonds

About (3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene

(3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene (PubChem CID 165352523) has the molecular formula C15H24S and a molecular weight of 236.42 g/mol. Its IUPAC name is (3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene.

Molecular Properties

Compound Name(3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene
PubChem CID165352523
Molecular FormulaC15H24S
Molecular Weight236.42 g/mol
Exact Mass236.16
IUPAC Name(3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene
SMILESC/C1=C/CC/C(C)=C/CC(C)(C)C2SC2C1
InChIInChI=1S/C15H24S/c1-11-6-5-7-12(2)10-13-14(16-13)15(3,4)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3/b11-8+,12-7-
InChIKeySVXFQANDXQPHJI-OHJCXFAUSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene?
The IUPAC name of (3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene (CID 165352523) is (3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene.
What is the SMILES notation for (3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene?
The canonical SMILES for (3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene is C/C1=C/CC/C(C)=C/CC(C)(C)C2SC2C1.
What is the InChIKey of (3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene?
The InChIKey is SVXFQANDXQPHJI-OHJCXFAUSA-N. The full InChI is InChI=1S/C15H24S/c1-11-6-5-7-12(2)10-13-14(16-13)15(3,4)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3/b11-8+,12-7-.
What are the key properties of (3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene?
(3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene has a molecular weight of 236.42 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E)-3,7,10,10-tetramethyl-12-thiabicyclo[9.1.0]dodeca-3,7-diene is sourced from PubChem (CID 165352523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).