(3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol

C14H24O3Si — CID 11780547

IUPAC(3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol
SMILESC=C[C@H]([C@H](O)C#C[Si](C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H24O3Si/c1-7-11(12(15)8-9-18(4,5)6)13-10-16-14(2,3)17-13/h7,11-13,15H,1,10H2,2-6H3/t11-,12-,13-/m1/s1
InChIKeyUMVWZPGPPRPZJI-JHJVBQTASA-N
MW268.43 g/mol
LogP2.18
Rot. Bonds3

About (3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol

(3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol (PubChem CID 11780547) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is (3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol
PubChem CID11780547
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name(3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol
SMILESC=C[C@H]([C@H](O)C#C[Si](C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H24O3Si/c1-7-11(12(15)8-9-18(4,5)6)13-10-16-14(2,3)17-13/h7,11-13,15H,1,10H2,2-6H3/t11-,12-,13-/m1/s1
InChIKeyUMVWZPGPPRPZJI-JHJVBQTASA-N
XLogP2.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol?
The IUPAC name of (3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol (CID 11780547) is (3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol.
What is the SMILES notation for (3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol?
The canonical SMILES for (3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol is C=C[C@H]([C@H](O)C#C[Si](C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of (3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol?
The InChIKey is UMVWZPGPPRPZJI-JHJVBQTASA-N. The full InChI is InChI=1S/C14H24O3Si/c1-7-11(12(15)8-9-18(4,5)6)13-10-16-14(2,3)17-13/h7,11-13,15H,1,10H2,2-6H3/t11-,12-,13-/m1/s1.
What are the key properties of (3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol?
(3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol has a molecular weight of 268.43 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-trimethylsilylhex-5-en-1-yn-3-ol is sourced from PubChem (CID 11780547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).