(2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane

C22H40OSi — CID 11198863

IUPAC(2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
SMILESC=CCCCC1(C)C=CC(O[Si](C(C)C)(C(C)C)C(C)C)=C(C)C1
InChIInChI=1S/C22H40OSi/c1-10-11-12-14-22(9)15-13-21(20(8)16-22)23-24(17(2)3,18(4)5)19(6)7/h10,13,15,17-19H,1,11-12,14,16H2,2-9H3
InChIKeyZEWQLEVFKWIYSU-UHFFFAOYSA-N
MW348.65 g/mol
LogP7.78
Rot. Bonds9

About (2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane

(2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane (PubChem CID 11198863) has the molecular formula C22H40OSi and a molecular weight of 348.65 g/mol. Its IUPAC name is (2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
PubChem CID11198863
Molecular FormulaC22H40OSi
Molecular Weight348.65 g/mol
Exact Mass348.28
IUPAC Name(2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
SMILESC=CCCCC1(C)C=CC(O[Si](C(C)C)(C(C)C)C(C)C)=C(C)C1
InChIInChI=1S/C22H40OSi/c1-10-11-12-14-22(9)15-13-21(20(8)16-22)23-24(17(2)3,18(4)5)19(6)7/h10,13,15,17-19H,1,11-12,14,16H2,2-9H3
InChIKeyZEWQLEVFKWIYSU-UHFFFAOYSA-N
XLogP7.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.65
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Tri(propan-2-yl)-(4,4,7-trimethylcyclohepta-1,6-dien-1-yl)oxysilane
CID 11438269
trimethyl-[(3E)-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dien-2-yl]oxysilane
CID 12723061
(2,4-Dimethyl-4-pentylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
CID 101352758
trimethyl-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]oxysilane
CID 134858958
tert-butyl-[1-[(3S,6R)-6-ethenyl-6-methyl-3-prop-1-en-2-ylcyclohexen-1-yl]ethenoxy]-dimethylsilane
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((2-Allylcyclohexa-1,5-dien-1-yl)oxy)triisopropylsilane
CID 164887901
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-trimethylsilane
CID 5366575
t-Butyl-dimethyl-[4-(2,6,6-trimethyl-cyclohex-2-enyl)-buta-1,3-dienyloxy]-silane
CID 5366890
Silane, (1,1-dimethylethyl)dimethyl[[2-methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-1-propenyl]oxy]-
CID 5366892
tert-butyl-[(2E,7E)-4-tert-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane
CID 10884955

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
The IUPAC name of (2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane (CID 11198863) is (2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane.
What is the SMILES notation for (2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
The canonical SMILES for (2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane is C=CCCCC1(C)C=CC(O[Si](C(C)C)(C(C)C)C(C)C)=C(C)C1.
What is the InChIKey of (2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
The InChIKey is ZEWQLEVFKWIYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40OSi/c1-10-11-12-14-22(9)15-13-21(20(8)16-22)23-24(17(2)3,18(4)5)19(6)7/h10,13,15,17-19H,1,11-12,14,16H2,2-9H3.
What are the key properties of (2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane?
(2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane has a molecular weight of 348.65 g/mol, XLogP of 7.78, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11198863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).