(E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen

C18H36O2Si — CID 159711324

IUPAC(E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen
SMILESC#C[C@H](O)/C(C)=C/C(C)(C)O[Si](C(C)C)(C(C)C)C(C)C.[H][H]
InChIInChI=1S/C18H34O2Si.H2/c1-11-17(19)16(8)12-18(9,10)20-21(13(2)3,14(4)5)15(6)7;/h1,12-15,17,19H,2-10H3;1H/b16-12+;/t17-;/m0./s1
InChIKeyMYWJKSAWSSOVNS-JGMFGEAQSA-N
MW312.57 g/mol
LogP5.14
Rot. Bonds7

About (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen

(E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen (PubChem CID 159711324) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen.

Molecular Properties

Compound Name(E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen
PubChem CID159711324
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen
SMILESC#C[C@H](O)/C(C)=C/C(C)(C)O[Si](C(C)C)(C(C)C)C(C)C.[H][H]
InChIInChI=1S/C18H34O2Si.H2/c1-11-17(19)16(8)12-18(9,10)20-21(13(2)3,14(4)5)15(6)7;/h1,12-15,17,19H,2-10H3;1H/b16-12+;/t17-;/m0./s1
InChIKeyMYWJKSAWSSOVNS-JGMFGEAQSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen 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 (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen?
The IUPAC name of (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen (CID 159711324) is (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen.
What is the SMILES notation for (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen?
The canonical SMILES for (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen is C#C[C@H](O)/C(C)=C/C(C)(C)O[Si](C(C)C)(C(C)C)C(C)C.[H][H].
What is the InChIKey of (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen?
The InChIKey is MYWJKSAWSSOVNS-JGMFGEAQSA-N. The full InChI is InChI=1S/C18H34O2Si.H2/c1-11-17(19)16(8)12-18(9,10)20-21(13(2)3,14(4)5)15(6)7;/h1,12-15,17,19H,2-10H3;1H/b16-12+;/t17-;/m0./s1.
What are the key properties of (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen?
(E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen has a molecular weight of 312.57 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-4,6-dimethyl-6-tri(propan-2-yl)silyloxyhept-4-en-1-yn-3-ol;molecular hydrogen is sourced from PubChem (CID 159711324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).