(Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol

C13H25ClO2Si — CID 90436514

IUPAC(Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol
SMILESC/C=C\C(=C(\Cl)CC)[C@@H](O)[C@H](C)O[Si](C)(C)C
InChIInChI=1S/C13H25ClO2Si/c1-7-9-11(12(14)8-2)13(15)10(3)16-17(4,5)6/h7,9-10,13,15H,8H2,1-6H3/b9-7-,12-11-/t10-,13-/m0/s1
InChIKeyGUQRSXNDVMOMEY-WGVBZGQRSA-N
MW276.88 g/mol
LogP4.07
Rot. Bonds6

About (Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol

(Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol (PubChem CID 90436514) has the molecular formula C13H25ClO2Si and a molecular weight of 276.88 g/mol. Its IUPAC name is (Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol.

Molecular Properties

Compound Name(Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol
PubChem CID90436514
Molecular FormulaC13H25ClO2Si
Molecular Weight276.88 g/mol
Exact Mass276.13
IUPAC Name(Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol
SMILESC/C=C\C(=C(\Cl)CC)[C@@H](O)[C@H](C)O[Si](C)(C)C
InChIInChI=1S/C13H25ClO2Si/c1-7-9-11(12(14)8-2)13(15)10(3)16-17(4,5)6/h7,9-10,13,15H,8H2,1-6H3/b9-7-,12-11-/t10-,13-/m0/s1
InChIKeyGUQRSXNDVMOMEY-WGVBZGQRSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.88
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol?
The IUPAC name of (Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol (CID 90436514) is (Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol.
What is the SMILES notation for (Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol?
The canonical SMILES for (Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol is C/C=C\C(=C(\Cl)CC)[C@@H](O)[C@H](C)O[Si](C)(C)C.
What is the InChIKey of (Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol?
The InChIKey is GUQRSXNDVMOMEY-WGVBZGQRSA-N. The full InChI is InChI=1S/C13H25ClO2Si/c1-7-9-11(12(14)8-2)13(15)10(3)16-17(4,5)6/h7,9-10,13,15H,8H2,1-6H3/b9-7-,12-11-/t10-,13-/m0/s1.
What are the key properties of (Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol?
(Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol has a molecular weight of 276.88 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,3R)-5-chloro-4-[(Z)-prop-1-enyl]-2-trimethylsilyloxyhept-4-en-3-ol is sourced from PubChem (CID 90436514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).