(1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane

C9H16OSi — CID 151314672

IUPAC(1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane
SMILESCOC1([SiH](C)C)C=CC=CC1
InChIInChI=1S/C9H16OSi/c1-10-9(11(2)3)7-5-4-6-8-9/h4-7,11H,8H2,1-3H3
InChIKeyOFDSJOLNJUGXCW-UHFFFAOYSA-N
MW168.31 g/mol
LogP1.91
Rot. Bonds2

About (1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane

(1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane (PubChem CID 151314672) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is (1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Name(1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane
PubChem CID151314672
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name(1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane
SMILESCOC1([SiH](C)C)C=CC=CC1
InChIInChI=1S/C9H16OSi/c1-10-9(11(2)3)7-5-4-6-8-9/h4-7,11H,8H2,1-3H3
InChIKeyOFDSJOLNJUGXCW-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 51.91
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 (1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane?
The IUPAC name of (1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane (CID 151314672) is (1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for (1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for (1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane is COC1([SiH](C)C)C=CC=CC1.
What is the InChIKey of (1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane?
The InChIKey is OFDSJOLNJUGXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OSi/c1-10-9(11(2)3)7-5-4-6-8-9/h4-7,11H,8H2,1-3H3.
What are the key properties of (1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane?
(1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane has a molecular weight of 168.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclohexa-2,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 151314672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).