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

C28H54O4Si — CID 10906996

IUPAC(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxan-2-yl]hept-5-en-2-ol
SMILESCC[C@@H](/C=C\CCC1(C[C@H](O)CCC=C(C)C)OCCCO1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H54O4Si/c1-10-27(32-33(23(4)5,24(6)7)25(8)9)17-11-12-18-28(30-19-14-20-31-28)21-26(29)16-13-15-22(2)3/h11,15,17,23-27,29H,10,12-14,16,18-21H2,1-9H3/b17-11-/t26-,27+/m1/s1
InChIKeyJDMWIDPXIRJWQY-VSUXQLSVSA-N
MW482.82 g/mol
LogP7.92
Rot. Bonds15

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

(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxan-2-yl]hept-5-en-2-ol (PubChem CID 10906996) has the molecular formula C28H54O4Si and a molecular weight of 482.82 g/mol. Its IUPAC name is (2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxan-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-dioxan-2-yl]hept-5-en-2-ol
PubChem CID10906996
Molecular FormulaC28H54O4Si
Molecular Weight482.82 g/mol
Exact Mass482.38
IUPAC Name(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxan-2-yl]hept-5-en-2-ol
SMILESCC[C@@H](/C=C\CCC1(C[C@H](O)CCC=C(C)C)OCCCO1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H54O4Si/c1-10-27(32-33(23(4)5,24(6)7)25(8)9)17-11-12-18-28(30-19-14-20-31-28)21-26(29)16-13-15-22(2)3/h11,15,17,23-27,29H,10,12-14,16,18-21H2,1-9H3/b17-11-/t26-,27+/m1/s1
InChIKeyJDMWIDPXIRJWQY-VSUXQLSVSA-N
XLogP7.92
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.82
LogP ≤ 57.92
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'}

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

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Related Compounds

[(3S)-7-iodohept-4-en-3-yl]oxy-tri(propan-2-yl)silane
CID 90772091
(1R,4E,8E)-5,9,13-trimethyl-1-[(2S)-2-methyloxolan-2-yl]tetradeca-4,8,12-trien-1-ol
CID 118727265
1-chloro-6-methylhept-5-en-2-ol
CID 13094458
4,8-dimethylnon-7-en-3-ol
CID 3015366
[(7E,10E)-hexadeca-7,10-dien-6-yl]oxy-tri(propan-2-yl)silane
CID 10927345
[(3R)-3,7-dimethyloct-6-enyl] (5S)-3-hydroxy-5,9-dimethyldec-8-enoate
CID 166747683
[(3R)-3,7-dimethyloct-6-enyl] butanoate
CID 23616651
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
N-ethyl-3,7-dimethyloct-6-enamide
CID 91172474
8,12-dimethyltridec-11-ene-3,6-dione
CID 138968115
3,7-dimethyloct-6-enyl 2-hydroxypropanoate
CID 15413263
(Z)-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol
CID 139691180

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-dioxan-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-dioxan-2-yl]hept-5-en-2-ol (CID 10906996) is (2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxan-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-dioxan-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-dioxan-2-yl]hept-5-en-2-ol is CC[C@@H](/C=C\CCC1(C[C@H](O)CCC=C(C)C)OCCCO1)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-dioxan-2-yl]hept-5-en-2-ol?
The InChIKey is JDMWIDPXIRJWQY-VSUXQLSVSA-N. The full InChI is InChI=1S/C28H54O4Si/c1-10-27(32-33(23(4)5,24(6)7)25(8)9)17-11-12-18-28(30-19-14-20-31-28)21-26(29)16-13-15-22(2)3/h11,15,17,23-27,29H,10,12-14,16,18-21H2,1-9H3/b17-11-/t26-,27+/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-dioxan-2-yl]hept-5-en-2-ol?
(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxan-2-yl]hept-5-en-2-ol has a molecular weight of 482.82 g/mol, XLogP of 7.92, 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-dioxan-2-yl]hept-5-en-2-ol is sourced from PubChem (CID 10906996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).