1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane

C17H20Si — CID 140905753

IUPAC1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane
SMILESC[Si](C)(C)CC1=CCc2cc3ccccc3cc21
InChIInChI=1S/C17H20Si/c1-18(2,3)12-16-9-8-15-10-13-6-4-5-7-14(13)11-17(15)16/h4-7,9-11H,8,12H2,1-3H3
InChIKeyAQAYLXAIGIAQBS-UHFFFAOYSA-N
MW252.43 g/mol
LogP5.12
Rot. Bonds2

About 1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane

1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane (PubChem CID 140905753) has the molecular formula C17H20Si and a molecular weight of 252.43 g/mol. Its IUPAC name is 1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane.

Molecular Properties

Compound Name1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane
PubChem CID140905753
Molecular FormulaC17H20Si
Molecular Weight252.43 g/mol
Exact Mass252.13
IUPAC Name1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane
SMILESC[Si](C)(C)CC1=CCc2cc3ccccc3cc21
InChIInChI=1S/C17H20Si/c1-18(2,3)12-16-9-8-15-10-13-6-4-5-7-14(13)11-17(15)16/h4-7,9-11H,8,12H2,1-3H3
InChIKeyAQAYLXAIGIAQBS-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.43
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane 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 1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane?
The IUPAC name of 1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane (CID 140905753) is 1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane.
What is the SMILES notation for 1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane?
The canonical SMILES for 1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane is C[Si](C)(C)CC1=CCc2cc3ccccc3cc21.
What is the InChIKey of 1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane?
The InChIKey is AQAYLXAIGIAQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Si/c1-18(2,3)12-16-9-8-15-10-13-6-4-5-7-14(13)11-17(15)16/h4-7,9-11H,8,12H2,1-3H3.
What are the key properties of 1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane?
1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane has a molecular weight of 252.43 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclopenta[b]naphthalen-3-ylmethyl(trimethyl)silane is sourced from PubChem (CID 140905753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).