(1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol

C29H58O3Si — CID 11846081

IUPAC(1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@H]1CC[C@H]([C@@H](CCCCCCCCCCCC)O[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C29H58O3Si/c1-9-11-12-13-14-15-16-17-18-19-20-29(28-22-21-27(31-28)26(30)10-2)32-33(23(3)4,24(5)6)25(7)8/h10,23-30H,2,9,11-22H2,1,3-8H3/t26-,27-,28-,29-/m1/s1
InChIKeyLZLGXJBBDWHGLQ-CXDXLJMYSA-N
MW482.87 g/mol
LogP8.95
Rot. Bonds19

About (1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol

(1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol (PubChem CID 11846081) has the molecular formula C29H58O3Si and a molecular weight of 482.87 g/mol. Its IUPAC name is (1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol
PubChem CID11846081
Molecular FormulaC29H58O3Si
Molecular Weight482.87 g/mol
Exact Mass482.42
IUPAC Name(1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@H]1CC[C@H]([C@@H](CCCCCCCCCCCC)O[Si](C(C)C)(C(C)C)C(C)C)O1
InChIInChI=1S/C29H58O3Si/c1-9-11-12-13-14-15-16-17-18-19-20-29(28-22-21-27(31-28)26(30)10-2)32-33(23(3)4,24(5)6)25(7)8/h10,23-30H,2,9,11-22H2,1,3-8H3/t26-,27-,28-,29-/m1/s1
InChIKeyLZLGXJBBDWHGLQ-CXDXLJMYSA-N
XLogP8.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.87
LogP ≤ 58.95
H-Bond Donors ≤ 51
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

Cobra-1
CID 9819996
(1R)-1-[(2R,5S)-5-[(2S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]but-3-en-1-ol
CID 11179481
(1S)-1-[(2S,5S)-5-prop-2-enyloxolan-2-yl]prop-2-en-1-ol
CID 11846080
3-Tri(propan-2-yl)silyloxynon-1-en-4-ol
CID 86173982
(6aR,8S,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 101471318
(6aR,8S)-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 134830804
1-[(4S,5S)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841869
1-[(4S,5R)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841998
[(2R,4S,5S)-4-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl]oxy-5-prop-2-enyloxolan-2-yl]methanol
CID 138963627
(2S,3R,5S)-2-prop-2-enyl-5-[3-tri(propan-2-yl)silyloxypropyl]oxolan-3-ol
CID 178184676
(1S)-1-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]dec-9-en-1-ol
CID 10670138
(1R)-1-[(5R)-5-[(1S)-1-hydroxypent-4-enyl]oxolan-2-yl]tridecan-1-ol
CID 59976503

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol?
The IUPAC name of (1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol (CID 11846081) is (1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol?
The canonical SMILES for (1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol is C=C[C@@H](O)[C@H]1CC[C@H]([C@@H](CCCCCCCCCCCC)O[Si](C(C)C)(C(C)C)C(C)C)O1.
What is the InChIKey of (1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol?
The InChIKey is LZLGXJBBDWHGLQ-CXDXLJMYSA-N. The full InChI is InChI=1S/C29H58O3Si/c1-9-11-12-13-14-15-16-17-18-19-20-29(28-22-21-27(31-28)26(30)10-2)32-33(23(3)4,24(5)6)25(7)8/h10,23-30H,2,9,11-22H2,1,3-8H3/t26-,27-,28-,29-/m1/s1.
What are the key properties of (1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol?
(1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol has a molecular weight of 482.87 g/mol, XLogP of 8.95, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,5R)-5-[(1R)-1-tri(propan-2-yl)silyloxytridecyl]oxolan-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 11846081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).