1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one

C16H34O4Si — CID 169097576

IUPAC1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one
SMILESCCCCCCCCCCC(C(=O)C(O)CO)[Si](C)(C)O
InChIInChI=1S/C16H34O4Si/c1-4-5-6-7-8-9-10-11-12-15(21(2,3)20)16(19)14(18)13-17/h14-15,17-18,20H,4-13H2,1-3H3
InChIKeyMYDVKEDGBDKJLQ-UHFFFAOYSA-N
MW318.53 g/mol
LogP3.01
Rot. Bonds13

About 1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one

1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one (PubChem CID 169097576) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is 1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one.

Molecular Properties

Compound Name1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one
PubChem CID169097576
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Name1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one
SMILESCCCCCCCCCCC(C(=O)C(O)CO)[Si](C)(C)O
InChIInChI=1S/C16H34O4Si/c1-4-5-6-7-8-9-10-11-12-15(21(2,3)20)16(19)14(18)13-17/h14-15,17-18,20H,4-13H2,1-3H3
InChIKeyMYDVKEDGBDKJLQ-UHFFFAOYSA-N
XLogP3.01
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one 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 1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one?
The IUPAC name of 1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one (CID 169097576) is 1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one.
What is the SMILES notation for 1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one?
The canonical SMILES for 1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one is CCCCCCCCCCC(C(=O)C(O)CO)[Si](C)(C)O.
What is the InChIKey of 1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one?
The InChIKey is MYDVKEDGBDKJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4Si/c1-4-5-6-7-8-9-10-11-12-15(21(2,3)20)16(19)14(18)13-17/h14-15,17-18,20H,4-13H2,1-3H3.
What are the key properties of 1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one?
1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one has a molecular weight of 318.53 g/mol, XLogP of 3.01, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-4-[hydroxy(dimethyl)silyl]tetradecan-3-one is sourced from PubChem (CID 169097576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).