(7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol

C30H54O4Si — CID 10458879

IUPAC(7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol
SMILESC/C(=C\CCC(C)(O)C#CCO[Si](C(C)C)(C(C)C)C(C)C)CC/C=C(\C)COC1CCCCO1
InChIInChI=1S/C30H54O4Si/c1-24(2)35(25(3)4,26(5)6)34-22-14-20-30(9,31)19-13-17-27(7)15-12-16-28(8)23-33-29-18-10-11-21-32-29/h16-17,24-26,29,31H,10-13,15,18-19,21-23H2,1-9H3/b27-17+,28-16+
InChIKeyHWHIZEGFXGLWPB-NBCKFKMNSA-N
MW506.84 g/mol
LogP7.93
Rot. Bonds14

About (7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol

(7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol (PubChem CID 10458879) has the molecular formula C30H54O4Si and a molecular weight of 506.84 g/mol. Its IUPAC name is (7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol.

Molecular Properties

Compound Name(7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol
PubChem CID10458879
Molecular FormulaC30H54O4Si
Molecular Weight506.84 g/mol
Exact Mass506.38
IUPAC Name(7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol
SMILESC/C(=C\CCC(C)(O)C#CCO[Si](C(C)C)(C(C)C)C(C)C)CC/C=C(\C)COC1CCCCO1
InChIInChI=1S/C30H54O4Si/c1-24(2)35(25(3)4,26(5)6)34-22-14-20-30(9,31)19-13-17-27(7)15-12-16-28(8)23-33-29-18-10-11-21-32-29/h16-17,24-26,29,31H,10-13,15,18-19,21-23H2,1-9H3/b27-17+,28-16+
InChIKeyHWHIZEGFXGLWPB-NBCKFKMNSA-N
XLogP7.93
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.84
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[(6E,10E)-3,7,11-trimethyl-14-(oxan-2-yloxy)tetradeca-6,10-dien-1-yn-3-yl]oxysilane
CID 12000505
tert-butyl-[(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-yl]oxy-dimethylsilane
CID 15726381
tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane
CID 15726383
(6E,10E)-3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol
CID 15237477
6,10-Dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol
CID 54357334
(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol
CID 70394079
3,7,11-Trimethyl-12-(2-tetrahydropyranyl)oxy-6,10-dodecadien-1-in-3-ol
CID 131718157
(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-1-prop-2-ynylcyclopent-2-en-1-ol
CID 139616242
(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(4-hydroxybut-2-ynyl)-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]cyclopent-2-en-1-ol
CID 139616243
[(7E,11E)-4-(methoxymethoxy)-4,8,12-trimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoxy]-tri(propan-2-yl)silane
CID 10415169
(E)-2-methyl-7-(oxan-2-yloxy)-3-(trimethylsilylmethyl)hept-3-en-2-ol
CID 13508266
(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-[1-(oxan-2-yloxy)cyclobutyl]hept-2-en-4-yn-1-ol
CID 15542535

Frequently Asked Questions

What is the IUPAC name of (7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol?
The IUPAC name of (7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol (CID 10458879) is (7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol.
What is the SMILES notation for (7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol?
The canonical SMILES for (7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol is C/C(=C\CCC(C)(O)C#CCO[Si](C(C)C)(C(C)C)C(C)C)CC/C=C(\C)COC1CCCCO1.
What is the InChIKey of (7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol?
The InChIKey is HWHIZEGFXGLWPB-NBCKFKMNSA-N. The full InChI is InChI=1S/C30H54O4Si/c1-24(2)35(25(3)4,26(5)6)34-22-14-20-30(9,31)19-13-17-27(7)15-12-16-28(8)23-33-29-18-10-11-21-32-29/h16-17,24-26,29,31H,10-13,15,18-19,21-23H2,1-9H3/b27-17+,28-16+.
What are the key properties of (7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol?
(7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol has a molecular weight of 506.84 g/mol, XLogP of 7.93, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,11E)-4,8,12-trimethyl-13-(oxan-2-yloxy)-1-tri(propan-2-yl)silyloxytrideca-7,11-dien-2-yn-4-ol is sourced from PubChem (CID 10458879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).