[(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane

C30H52O3Si — CID 11179313

IUPAC[(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H](C)[C@@H]1CC[C@H](C)[C@@H]([C@@H](C)/C=C/COCc2ccccc2)O1)(C(C)C)C(C)C
InChIInChI=1S/C30H52O3Si/c1-22(2)34(23(3)4,24(5)6)32-20-27(9)29-18-17-26(8)30(33-29)25(7)14-13-19-31-21-28-15-11-10-12-16-28/h10-16,22-27,29-30H,17-21H2,1-9H3/b14-13+/t25-,26-,27+,29-,30+/m0/s1
InChIKeyBTQLPPZSVPXZPG-ZUTBRBRBSA-N
MW488.83 g/mol
LogP8.41
Rot. Bonds13

About [(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane

[(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane (PubChem CID 11179313) has the molecular formula C30H52O3Si and a molecular weight of 488.83 g/mol. Its IUPAC name is [(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane
PubChem CID11179313
Molecular FormulaC30H52O3Si
Molecular Weight488.83 g/mol
Exact Mass488.37
IUPAC Name[(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H](C)[C@@H]1CC[C@H](C)[C@@H]([C@@H](C)/C=C/COCc2ccccc2)O1)(C(C)C)C(C)C
InChIInChI=1S/C30H52O3Si/c1-22(2)34(23(3)4,24(5)6)32-20-27(9)29-18-17-26(8)30(33-29)25(7)14-13-19-31-21-28-15-11-10-12-16-28/h10-16,22-27,29-30H,17-21H2,1-9H3/b14-13+/t25-,26-,27+,29-,30+/m0/s1
InChIKeyBTQLPPZSVPXZPG-ZUTBRBRBSA-N
XLogP8.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.83
LogP ≤ 58.41
H-Bond Donors ≤ 50
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'}

Analyze [(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane with MolForge

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Related Compounds

2H-Pyran, tetrahydro-2-methyl-4-methylene-6-phenyl-
CID 121777
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
CID 15640305
2H-Pyran, 3,6-dihydro-2,4-dimethyl-6-phenyl-
CID 107069
2H-Pyran, 3,6-dihydro-4,6-dimethyl-2-phenyl-
CID 107070
2H-Pyran, tetrahydro-4-methylene-2-phenyl-
CID 108444
tetrahydro-4-methyl-2-phenyl-2H-pyran
CID 3024003
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4R)-rel-
CID 15640306
Diphenylmethyl propyl ether
CID 4651659
Tert-butyl diphenylmethyl ether
CID 255804
(2R,3R)-2-heptyl-5-phenylmethoxypentane-1,3-diol
CID 46200964
(2R,3R)-2-octyl-5-phenylmethoxypentane-1,3-diol
CID 46229532
(4R,5R)-2,2-dimethyl-5-octyl-4-(2-phenylmethoxyethyl)-1,3-dioxane
CID 46229558

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane (CID 11179313) is [(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane is CC(C)[Si](OC[C@@H](C)[C@@H]1CC[C@H](C)[C@@H]([C@@H](C)/C=C/COCc2ccccc2)O1)(C(C)C)C(C)C.
What is the InChIKey of [(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane?
The InChIKey is BTQLPPZSVPXZPG-ZUTBRBRBSA-N. The full InChI is InChI=1S/C30H52O3Si/c1-22(2)34(23(3)4,24(5)6)32-20-27(9)29-18-17-26(8)30(33-29)25(7)14-13-19-31-21-28-15-11-10-12-16-28/h10-16,22-27,29-30H,17-21H2,1-9H3/b14-13+/t25-,26-,27+,29-,30+/m0/s1.
What are the key properties of [(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane?
[(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane has a molecular weight of 488.83 g/mol, XLogP of 8.41, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S,5S,6S)-5-methyl-6-[(E,2S)-5-phenylmethoxypent-3-en-2-yl]oxan-2-yl]propoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11179313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).