3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol

C12H24OSi — CID 140850603

IUPAC3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol
SMILESCC1C=CC(C)C[Si](C)(CCCO)C1
InChIInChI=1S/C12H24OSi/c1-11-5-6-12(2)10-14(3,9-11)8-4-7-13/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyHMXBTBRWEFEIGX-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.29
Rot. Bonds3

About 3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol

3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol (PubChem CID 140850603) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol
PubChem CID140850603
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol
SMILESCC1C=CC(C)C[Si](C)(CCCO)C1
InChIInChI=1S/C12H24OSi/c1-11-5-6-12(2)10-14(3,9-11)8-4-7-13/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyHMXBTBRWEFEIGX-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol?
The IUPAC name of 3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol (CID 140850603) is 3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol.
What is the SMILES notation for 3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol?
The canonical SMILES for 3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol is CC1C=CC(C)C[Si](C)(CCCO)C1.
What is the InChIKey of 3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol?
The InChIKey is HMXBTBRWEFEIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-11-5-6-12(2)10-14(3,9-11)8-4-7-13/h5-6,11-13H,4,7-10H2,1-3H3.
What are the key properties of 3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol?
3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol has a molecular weight of 212.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,6-trimethyl-2,3,6,7-tetrahydrosilepin-1-yl)propan-1-ol is sourced from PubChem (CID 140850603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).