1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol

C21H42O3Si — CID 173330564

IUPAC1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol
SMILESCC(C)=CCCC(C)=CCOCC(O)CCC(O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-17(2)10-9-11-18(3)14-15-24-16-19(22)12-13-20(23)25(7,8)21(4,5)6/h10,14,19-20,22-23H,9,11-13,15-16H2,1-8H3
InChIKeyKPORCMNMQZPSGS-UHFFFAOYSA-N
MW370.65 g/mol
LogP5.25
Rot. Bonds11

About 1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol

1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol (PubChem CID 173330564) has the molecular formula C21H42O3Si and a molecular weight of 370.65 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol
PubChem CID173330564
Molecular FormulaC21H42O3Si
Molecular Weight370.65 g/mol
Exact Mass370.29
IUPAC Name1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol
SMILESCC(C)=CCCC(C)=CCOCC(O)CCC(O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O3Si/c1-17(2)10-9-11-18(3)14-15-24-16-19(22)12-13-20(23)25(7,8)21(4,5)6/h10,14,19-20,22-23H,9,11-13,15-16H2,1-8H3
InChIKeyKPORCMNMQZPSGS-UHFFFAOYSA-N
XLogP5.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

tert-butyl-dimethyl-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)silane
CID 85403077
2,3-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propan-1-ol
CID 14556936
1,4-bis(3-methylbut-2-enoxy)butan-2-ol
CID 164773983
1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene
CID 54055377
3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
CID 173478394
3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol
CID 118913633
1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010
tert-butyl-[(2E,6Z,10E)-7-[di(propan-2-yloxy)methyl]-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
CID 10768316
(2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
CID 102264216
(2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene
CID 10082427
1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene
CID 140578450
(6E,10E)-2,2,7,11,15-pentamethylhexadeca-6,10,14-trien-3-ol
CID 126609123

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol (CID 173330564) is 1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol is CC(C)=CCCC(C)=CCOCC(O)CCC(O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol?
The InChIKey is KPORCMNMQZPSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O3Si/c1-17(2)10-9-11-18(3)14-15-24-16-19(22)12-13-20(23)25(7,8)21(4,5)6/h10,14,19-20,22-23H,9,11-13,15-16H2,1-8H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol?
1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol has a molecular weight of 370.65 g/mol, XLogP of 5.25, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-5-(3,7-dimethylocta-2,6-dienoxy)pentane-1,4-diol is sourced from PubChem (CID 173330564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).