bis[(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane

C26H40O2Si — CID 135074239

IUPACbis[(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=CC(C(=C)C)CC=C2C)(C(C)C)C(C)C)C(C)=CC1
InChIInChI=1S/C26H40O2Si/c1-17(2)23-13-11-21(9)25(15-23)27-29(19(5)6,20(7)8)28-26-16-24(18(3)4)14-12-22(26)10/h11-12,15-16,19-20,23-24H,1,3,13-14H2,2,4-10H3
InChIKeyRCGCBPMMBNMJPO-UHFFFAOYSA-N
MW412.69 g/mol
LogP8.13
Rot. Bonds8

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

bis[(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane (PubChem CID 135074239) has the molecular formula C26H40O2Si and a molecular weight of 412.69 g/mol. Its IUPAC name is bis[(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane.

Molecular Properties

Compound Namebis[(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane
PubChem CID135074239
Molecular FormulaC26H40O2Si
Molecular Weight412.69 g/mol
Exact Mass412.28
IUPAC Namebis[(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=CC(C(=C)C)CC=C2C)(C(C)C)C(C)C)C(C)=CC1
InChIInChI=1S/C26H40O2Si/c1-17(2)23-13-11-21(9)25(15-23)27-29(19(5)6,20(7)8)28-26-16-24(18(3)4)14-12-22(26)10/h11-12,15-16,19-20,23-24H,1,3,13-14H2,2,4-10H3
InChIKeyRCGCBPMMBNMJPO-UHFFFAOYSA-N
XLogP8.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 58.13
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 bis[(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane?
The IUPAC name of bis[(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane (CID 135074239) is bis[(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 bis[(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane?
The canonical SMILES for bis[(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=CC(C(=C)C)CC=C2C)(C(C)C)C(C)C)C(C)=CC1.
What is the InChIKey of bis[(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane?
The InChIKey is RCGCBPMMBNMJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2Si/c1-17(2)23-13-11-21(9)25(15-23)27-29(19(5)6,20(7)8)28-26-16-24(18(3)4)14-12-22(26)10/h11-12,15-16,19-20,23-24H,1,3,13-14H2,2,4-10H3.
What are the key properties of bis[(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane?
bis[(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane has a molecular weight of 412.69 g/mol, XLogP of 8.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)oxy]-di(propan-2-yl)silane is sourced from PubChem (CID 135074239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).