(2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane

C18H28OSi — CID 70017602

IUPAC(2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane
SMILESCOC1([Si](C)(C)C2=CC=CC2)CC=CC=C1C(C)(C)C
InChIInChI=1S/C18H28OSi/c1-17(2,3)16-13-9-10-14-18(16,19-4)20(5,6)15-11-7-8-12-15/h7-11,13H,12,14H2,1-6H3
InChIKeyVGSAAKXJFAMXAF-UHFFFAOYSA-N
MW288.51 g/mol
LogP4.98
Rot. Bonds3

About (2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane

(2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane (PubChem CID 70017602) has the molecular formula C18H28OSi and a molecular weight of 288.51 g/mol. Its IUPAC name is (2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane.

Molecular Properties

Compound Name(2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane
PubChem CID70017602
Molecular FormulaC18H28OSi
Molecular Weight288.51 g/mol
Exact Mass288.19
IUPAC Name(2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane
SMILESCOC1([Si](C)(C)C2=CC=CC2)CC=CC=C1C(C)(C)C
InChIInChI=1S/C18H28OSi/c1-17(2,3)16-13-9-10-14-18(16,19-4)20(5,6)15-11-7-8-12-15/h7-11,13H,12,14H2,1-6H3
InChIKeyVGSAAKXJFAMXAF-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.51
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane?
The IUPAC name of (2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane (CID 70017602) is (2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane.
What is the SMILES notation for (2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane?
The canonical SMILES for (2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane is COC1([Si](C)(C)C2=CC=CC2)CC=CC=C1C(C)(C)C.
What is the InChIKey of (2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane?
The InChIKey is VGSAAKXJFAMXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28OSi/c1-17(2,3)16-13-9-10-14-18(16,19-4)20(5,6)15-11-7-8-12-15/h7-11,13H,12,14H2,1-6H3.
What are the key properties of (2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane?
(2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane has a molecular weight of 288.51 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1-methoxycyclohexa-2,4-dien-1-yl)-cyclopenta-1,3-dien-1-yl-dimethylsilane is sourced from PubChem (CID 70017602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).