cyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane

C21H34O2Si — CID 135074594

IUPACcyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane
SMILESC=C(C)C1C=C(O[Si](OC2=CCCC2)(C(C)C)C(C)C)C(C)=CC1
InChIInChI=1S/C21H34O2Si/c1-15(2)19-13-12-18(7)21(14-19)23-24(16(3)4,17(5)6)22-20-10-8-9-11-20/h10,12,14,16-17,19H,1,8-9,11,13H2,2-7H3
InChIKeyWSNBMNJOTPUEHA-UHFFFAOYSA-N
MW346.59 g/mol
LogP6.78
Rot. Bonds7

About cyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane

cyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane (PubChem CID 135074594) has the molecular formula C21H34O2Si and a molecular weight of 346.59 g/mol. Its IUPAC name is cyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane.

Molecular Properties

Compound Namecyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane
PubChem CID135074594
Molecular FormulaC21H34O2Si
Molecular Weight346.59 g/mol
Exact Mass346.23
IUPAC Namecyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane
SMILESC=C(C)C1C=C(O[Si](OC2=CCCC2)(C(C)C)C(C)C)C(C)=CC1
InChIInChI=1S/C21H34O2Si/c1-15(2)19-13-12-18(7)21(14-19)23-24(16(3)4,17(5)6)22-20-10-8-9-11-20/h10,12,14,16-17,19H,1,8-9,11,13H2,2-7H3
InChIKeyWSNBMNJOTPUEHA-UHFFFAOYSA-N
XLogP6.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.59
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane?
The IUPAC name of cyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane (CID 135074594) is cyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane.
What is the SMILES notation for cyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane?
The canonical SMILES for cyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane is C=C(C)C1C=C(O[Si](OC2=CCCC2)(C(C)C)C(C)C)C(C)=CC1.
What is the InChIKey of cyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane?
The InChIKey is WSNBMNJOTPUEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2Si/c1-15(2)19-13-12-18(7)21(14-19)23-24(16(3)4,17(5)6)22-20-10-8-9-11-20/h10,12,14,16-17,19H,1,8-9,11,13H2,2-7H3.
What are the key properties of cyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane?
cyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane has a molecular weight of 346.59 g/mol, XLogP of 6.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yloxy-(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy-di(propan-2-yl)silane is sourced from PubChem (CID 135074594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).