3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol

C16H30O3Si — CID 90280758

IUPAC3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol
SMILESCC(C)C(O)(C1OCCO1)C(C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C16H30O3Si/c1-13(2)16(17,14-18-10-11-19-14)15(3,4)9-8-12-20(5,6)7/h13-14,17H,9-11H2,1-7H3
InChIKeyLPDVMRXGISRMOI-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.04
Rot. Bonds4

About 3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol

3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol (PubChem CID 90280758) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol
PubChem CID90280758
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol
SMILESCC(C)C(O)(C1OCCO1)C(C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C16H30O3Si/c1-13(2)16(17,14-18-10-11-19-14)15(3,4)9-8-12-20(5,6)7/h13-14,17H,9-11H2,1-7H3
InChIKeyLPDVMRXGISRMOI-UHFFFAOYSA-N
XLogP3.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-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 3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol (CID 90280758) is 3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol is CC(C)C(O)(C1OCCO1)C(C)(C)CC#C[Si](C)(C)C.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol?
The InChIKey is LPDVMRXGISRMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-13(2)16(17,14-18-10-11-19-14)15(3,4)9-8-12-20(5,6)7/h13-14,17H,9-11H2,1-7H3.
What are the key properties of 3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol?
3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol has a molecular weight of 298.50 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-2,4,4-trimethyl-7-trimethylsilylhept-6-yn-3-ol is sourced from PubChem (CID 90280758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).