4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol

C18H30OSi2 — CID 10543617

IUPAC4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol
SMILESC=CCC(CC=C)C(O)(C#C[Si](C)(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C18H30OSi2/c1-9-11-17(12-10-2)18(19,13-15-20(3,4)5)14-16-21(6,7)8/h9-10,17,19H,1-2,11-12H2,3-8H3
InChIKeyBOJJQRCJCPTOQF-UHFFFAOYSA-N
MW318.61 g/mol
LogP4.25
Rot. Bonds5

About 4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol

4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol (PubChem CID 10543617) has the molecular formula C18H30OSi2 and a molecular weight of 318.61 g/mol. Its IUPAC name is 4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol.

Molecular Properties

Compound Name4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol
PubChem CID10543617
Molecular FormulaC18H30OSi2
Molecular Weight318.61 g/mol
Exact Mass318.18
IUPAC Name4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol
SMILESC=CCC(CC=C)C(O)(C#C[Si](C)(C)C)C#C[Si](C)(C)C
InChIInChI=1S/C18H30OSi2/c1-9-11-17(12-10-2)18(19,13-15-20(3,4)5)14-16-21(6,7)8/h9-10,17,19H,1-2,11-12H2,3-8H3
InChIKeyBOJJQRCJCPTOQF-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.61
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-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

Related Compounds

(4S,5S)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol
CID 11466209
6-(2-Trimethylsilylethynyl)undeca-1,10-dien-6-ol
CID 10491896
5-(2-Trimethylsilylethynyl)nona-1,8-dien-5-ol
CID 10514010
4-Prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yne-3,4-diol
CID 10882221
(3S)-3-propan-2-yl-1-trimethylsilylhex-5-en-1-yn-3-ol
CID 11009211
(4S,5S)-4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol
CID 15329992
4,5-Bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol
CID 15329994
4-Prop-2-enyl-8-trimethylsilyl-5-(3-trimethylsilylprop-2-ynyl)oct-1-en-7-yne-4,5-diol
CID 100930652
(4R,5R)-4,5-bis(2-trimethylsilylethynyl)octa-1,7-diene-4,5-diol
CID 101028370
(4R,5R)-4,5-bis[2-tri(propan-2-yl)silylethynyl]octa-1,7-diene-4,5-diol
CID 102005752

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol?
The IUPAC name of 4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol (CID 10543617) is 4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol.
What is the SMILES notation for 4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol?
The canonical SMILES for 4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol is C=CCC(CC=C)C(O)(C#C[Si](C)(C)C)C#C[Si](C)(C)C.
What is the InChIKey of 4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol?
The InChIKey is BOJJQRCJCPTOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30OSi2/c1-9-11-17(12-10-2)18(19,13-15-20(3,4)5)14-16-21(6,7)8/h9-10,17,19H,1-2,11-12H2,3-8H3.
What are the key properties of 4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol?
4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol has a molecular weight of 318.61 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1-trimethylsilyl-3-(2-trimethylsilylethynyl)hept-6-en-1-yn-3-ol is sourced from PubChem (CID 10543617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).