7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane

C22H40OSi — CID 11068043

IUPAC7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane
SMILESC=CCC(CCCC1=CCC=CC1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H40OSi/c1-8-13-22(17-12-16-21-14-10-9-11-15-21)23-24(18(2)3,19(4)5)20(6)7/h8-10,15,18-20,22H,1,11-14,16-17H2,2-7H3
InChIKeyJDKBJINLKCZQNX-UHFFFAOYSA-N
MW348.65 g/mol
LogP7.57
Rot. Bonds11

About 7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane

7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane (PubChem CID 11068043) has the molecular formula C22H40OSi and a molecular weight of 348.65 g/mol. Its IUPAC name is 7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane
PubChem CID11068043
Molecular FormulaC22H40OSi
Molecular Weight348.65 g/mol
Exact Mass348.28
IUPAC Name7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane
SMILESC=CCC(CCCC1=CCC=CC1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H40OSi/c1-8-13-22(17-12-16-21-14-10-9-11-15-21)23-24(18(2)3,19(4)5)20(6)7/h8-10,15,18-20,22H,1,11-14,16-17H2,2-7H3
InChIKeyJDKBJINLKCZQNX-UHFFFAOYSA-N
XLogP7.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.65
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Octadec-9Z-enol trimethylsilyl ether
CID 5366884
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Linoleyl alcohol tms ether
CID 15635192
7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
cis-9-octadecenol, tBDMS
CID 6430273
(9E,12Z)-Tetradeca-9,12-dien-1-ol trimethylsilyl ether
CID 91697185
(Z,E)-Tetradeca-9,12-dienol, tert-Butyldimethylsilyl ether
CID 91697354
cis-9-Tetradecen-1-ol, trimethylsilyl ether
CID 91697356
13c,16c-docosadienol, tBDMS
CID 6430207
(Z)-Trimethyl(tetradec-11-en-1-yloxy)silane
CID 91697186
Tert-butyl-(4-ethenylcyclohex-3-en-1-yl)oxy-dimethylsilane
CID 10752454
2,2-dimethyl-7-octyl-6,7-dihydro-3H-oxasilepine
CID 10753477

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane?
The IUPAC name of 7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane (CID 11068043) is 7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane.
What is the SMILES notation for 7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane?
The canonical SMILES for 7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane is C=CCC(CCCC1=CCC=CC1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane?
The InChIKey is JDKBJINLKCZQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40OSi/c1-8-13-22(17-12-16-21-14-10-9-11-15-21)23-24(18(2)3,19(4)5)20(6)7/h8-10,15,18-20,22H,1,11-14,16-17H2,2-7H3.
What are the key properties of 7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane?
7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane has a molecular weight of 348.65 g/mol, XLogP of 7.57, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11068043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).