1,2-dimethyl-3-tetradecyl-1H-silole

C20H38Si — CID 173282727

IUPAC1,2-dimethyl-3-tetradecyl-1H-silole
SMILESCCCCCCCCCCCCCCC1=C(C)[SiH](C)C=C1
InChIInChI=1S/C20H38Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(3)19(20)2/h17-18,21H,4-16H2,1-3H3
InChIKeyBEWXARCHSDCNFW-UHFFFAOYSA-N
MW306.61 g/mol
LogP6.90
Rot. Bonds13

About 1,2-dimethyl-3-tetradecyl-1H-silole

1,2-dimethyl-3-tetradecyl-1H-silole (PubChem CID 173282727) has the molecular formula C20H38Si and a molecular weight of 306.61 g/mol. Its IUPAC name is 1,2-dimethyl-3-tetradecyl-1H-silole.

Molecular Properties

Compound Name1,2-dimethyl-3-tetradecyl-1H-silole
PubChem CID173282727
Molecular FormulaC20H38Si
Molecular Weight306.61 g/mol
Exact Mass306.27
IUPAC Name1,2-dimethyl-3-tetradecyl-1H-silole
SMILESCCCCCCCCCCCCCCC1=C(C)[SiH](C)C=C1
InChIInChI=1S/C20H38Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(3)19(20)2/h17-18,21H,4-16H2,1-3H3
InChIKeyBEWXARCHSDCNFW-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.61
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-tetradecyl-1H-silole?
The IUPAC name of 1,2-dimethyl-3-tetradecyl-1H-silole (CID 173282727) is 1,2-dimethyl-3-tetradecyl-1H-silole.
What is the SMILES notation for 1,2-dimethyl-3-tetradecyl-1H-silole?
The canonical SMILES for 1,2-dimethyl-3-tetradecyl-1H-silole is CCCCCCCCCCCCCCC1=C(C)[SiH](C)C=C1.
What is the InChIKey of 1,2-dimethyl-3-tetradecyl-1H-silole?
The InChIKey is BEWXARCHSDCNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(3)19(20)2/h17-18,21H,4-16H2,1-3H3.
What are the key properties of 1,2-dimethyl-3-tetradecyl-1H-silole?
1,2-dimethyl-3-tetradecyl-1H-silole has a molecular weight of 306.61 g/mol, XLogP of 6.90, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-tetradecyl-1H-silole is sourced from PubChem (CID 173282727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).