cyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane

C20H34O2Si — CID 135074593

IUPACcyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CCC(C)(C)C=C1)(OC1=CCCCC1)C(C)C
InChIInChI=1S/C20H34O2Si/c1-16(2)23(17(3)4,21-18-10-8-7-9-11-18)22-19-12-14-20(5,6)15-13-19/h10,12-14,16-17H,7-9,11,15H2,1-6H3
InChIKeyMERWZFQYOAHGIU-UHFFFAOYSA-N
MW334.58 g/mol
LogP6.61
Rot. Bonds6

About cyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane

cyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane (PubChem CID 135074593) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is cyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane.

Molecular Properties

Compound Namecyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane
PubChem CID135074593
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Namecyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane
SMILESCC(C)[Si](OC1=CCC(C)(C)C=C1)(OC1=CCCCC1)C(C)C
InChIInChI=1S/C20H34O2Si/c1-16(2)23(17(3)4,21-18-10-8-7-9-11-18)22-19-12-14-20(5,6)15-13-19/h10,12-14,16-17H,7-9,11,15H2,1-6H3
InChIKeyMERWZFQYOAHGIU-UHFFFAOYSA-N
XLogP6.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 cyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane?
The IUPAC name of cyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane (CID 135074593) is cyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane.
What is the SMILES notation for cyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane?
The canonical SMILES for cyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane is CC(C)[Si](OC1=CCC(C)(C)C=C1)(OC1=CCCCC1)C(C)C.
What is the InChIKey of cyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane?
The InChIKey is MERWZFQYOAHGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-16(2)23(17(3)4,21-18-10-8-7-9-11-18)22-19-12-14-20(5,6)15-13-19/h10,12-14,16-17H,7-9,11,15H2,1-6H3.
What are the key properties of cyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane?
cyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane has a molecular weight of 334.58 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yloxy-(4,4-dimethylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane is sourced from PubChem (CID 135074593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).