(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol

C27H52O4Si — CID 5471932

IUPAC(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol
SMILESCC[C@@H](/C=C\CCC1(C[C@H](O)CCC=C(C)C)OCCO1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H52O4Si/c1-10-26(31-32(22(4)5,23(6)7)24(8)9)16-11-12-17-27(29-18-19-30-27)20-25(28)15-13-14-21(2)3/h11,14,16,22-26,28H,10,12-13,15,17-20H2,1-9H3/b16-11-/t25-,26+/m1/s1
InChIKeyULPUARIMGQKHOC-DNIGYFMASA-N
MW468.80 g/mol
LogP7.53
Rot. Bonds15

About (2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol

(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol (PubChem CID 5471932) has the molecular formula C27H52O4Si and a molecular weight of 468.80 g/mol. Its IUPAC name is (2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol.

Molecular Properties

Compound Name(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol
PubChem CID5471932
Molecular FormulaC27H52O4Si
Molecular Weight468.80 g/mol
Exact Mass468.36
IUPAC Name(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol
SMILESCC[C@@H](/C=C\CCC1(C[C@H](O)CCC=C(C)C)OCCO1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H52O4Si/c1-10-26(31-32(22(4)5,23(6)7)24(8)9)16-11-12-17-27(29-18-19-30-27)20-25(28)15-13-14-21(2)3/h11,14,16,22-26,28H,10,12-13,15,17-20H2,1-9H3/b16-11-/t25-,26+/m1/s1
InChIKeyULPUARIMGQKHOC-DNIGYFMASA-N
XLogP7.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.80
LogP ≤ 57.53
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol?
The IUPAC name of (2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol (CID 5471932) is (2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol.
What is the SMILES notation for (2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol?
The canonical SMILES for (2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol is CC[C@@H](/C=C\CCC1(C[C@H](O)CCC=C(C)C)OCCO1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol?
The InChIKey is ULPUARIMGQKHOC-DNIGYFMASA-N. The full InChI is InChI=1S/C27H52O4Si/c1-10-26(31-32(22(4)5,23(6)7)24(8)9)16-11-12-17-27(29-18-19-30-27)20-25(28)15-13-14-21(2)3/h11,14,16,22-26,28H,10,12-13,15,17-20H2,1-9H3/b16-11-/t25-,26+/m1/s1.
What are the key properties of (2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol?
(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol has a molecular weight of 468.80 g/mol, XLogP of 7.53, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol is sourced from PubChem (CID 5471932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).