4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol

C11H22OSi — CID 140850595

IUPAC4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol
SMILESC[Si]1(CCCCO)CCC=CCC1
InChIInChI=1S/C11H22OSi/c1-13(11-7-4-8-12)9-5-2-3-6-10-13/h2-3,12H,4-11H2,1H3
InChIKeyDLOYXAZLFXKKDK-UHFFFAOYSA-N
MW198.38 g/mol
LogP3.19
Rot. Bonds4

About 4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol

4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol (PubChem CID 140850595) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol
PubChem CID140850595
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol
SMILESC[Si]1(CCCCO)CCC=CCC1
InChIInChI=1S/C11H22OSi/c1-13(11-7-4-8-12)9-5-2-3-6-10-13/h2-3,12H,4-11H2,1H3
InChIKeyDLOYXAZLFXKKDK-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol?
The IUPAC name of 4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol (CID 140850595) is 4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol.
What is the SMILES notation for 4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol?
The canonical SMILES for 4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol is C[Si]1(CCCCO)CCC=CCC1.
What is the InChIKey of 4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol?
The InChIKey is DLOYXAZLFXKKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-13(11-7-4-8-12)9-5-2-3-6-10-13/h2-3,12H,4-11H2,1H3.
What are the key properties of 4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol?
4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol has a molecular weight of 198.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2,3,6,7-tetrahydrosilepin-1-yl)butan-1-ol is sourced from PubChem (CID 140850595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).