6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol

C17H26S — CID 174352622

IUPAC6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol
SMILESCC1C2CC2C2C1C(C)C1C(C)C3CC(S)C3C12
InChIInChI=1S/C17H26S/c1-6-9-4-11(9)16-13(6)8(3)14-7(2)10-5-12(18)15(10)17(14)16/h6-18H,4-5H2,1-3H3
InChIKeyQZPPHIFEGKHIMT-UHFFFAOYSA-N
MW262.46 g/mol
LogP3.97
Rot. Bonds

About 6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol

6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol (PubChem CID 174352622) has the molecular formula C17H26S and a molecular weight of 262.46 g/mol. Its IUPAC name is 6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol.

Molecular Properties

Compound Name6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol
PubChem CID174352622
Molecular FormulaC17H26S
Molecular Weight262.46 g/mol
Exact Mass262.18
IUPAC Name6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol
SMILESCC1C2CC2C2C1C(C)C1C(C)C3CC(S)C3C12
InChIInChI=1S/C17H26S/c1-6-9-4-11(9)16-13(6)8(3)14-7(2)10-5-12(18)15(10)17(14)16/h6-18H,4-5H2,1-3H3
InChIKeyQZPPHIFEGKHIMT-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol?
The IUPAC name of 6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol (CID 174352622) is 6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol.
What is the SMILES notation for 6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol?
The canonical SMILES for 6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol is CC1C2CC2C2C1C(C)C1C(C)C3CC(S)C3C12.
What is the InChIKey of 6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol?
The InChIKey is QZPPHIFEGKHIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26S/c1-6-9-4-11(9)16-13(6)8(3)14-7(2)10-5-12(18)15(10)17(14)16/h6-18H,4-5H2,1-3H3.
What are the key properties of 6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol?
6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol has a molecular weight of 262.46 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol is sourced from PubChem (CID 174352622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).