(3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol

C18H36O4Si — CID 59071296

IUPAC(3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol
SMILESC=C[C@](C)(O)[C@H](C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-11-18(8,19)13(2)15-14(21-17(6,7)22-15)12-20-23(9,10)16(3,4)5/h11,13-15,19H,1,12H2,2-10H3/t13-,14+,15-,18+/m1/s1
InChIKeyJYDCTNTZVJWTFP-FSZRXZPDSA-N
MW344.57 g/mol
LogP4.10
Rot. Bonds6

About (3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol

(3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol (PubChem CID 59071296) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol
PubChem CID59071296
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol
SMILESC=C[C@](C)(O)[C@H](C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-11-18(8,19)13(2)15-14(21-17(6,7)22-15)12-20-23(9,10)16(3,4)5/h11,13-15,19H,1,12H2,2-10H3/t13-,14+,15-,18+/m1/s1
InChIKeyJYDCTNTZVJWTFP-FSZRXZPDSA-N
XLogP4.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.10
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 (3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol?
The IUPAC name of (3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol (CID 59071296) is (3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol.
What is the SMILES notation for (3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol?
The canonical SMILES for (3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol is C=C[C@](C)(O)[C@H](C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol?
The InChIKey is JYDCTNTZVJWTFP-FSZRXZPDSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-11-18(8,19)13(2)15-14(21-17(6,7)22-15)12-20-23(9,10)16(3,4)5/h11,13-15,19H,1,12H2,2-10H3/t13-,14+,15-,18+/m1/s1.
What are the key properties of (3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol?
(3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol has a molecular weight of 344.57 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylpent-1-en-3-ol is sourced from PubChem (CID 59071296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).