(5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde

C25H40O3Si2 — CID 10863183

IUPAC(5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde
SMILESC#C/C=C\C#C[C@]1(O[Si](CC)(CC)CC)CCC=C(C=O)[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C25H40O3Si2/c1-8-15-16-17-20-25(28-30(12-5,13-6)14-7)21-18-19-23(22-26)24(25)27-29(9-2,10-3)11-4/h1,15-16,19,22,24H,9-14,18,21H2,2-7H3/b16-15-/t24-,25+/m1/s1
InChIKeyPLNVLRWKBHNSKZ-DGTJDLLCSA-N
MW444.76 g/mol
LogP6.25
Rot. Bonds11

About (5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde

(5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde (PubChem CID 10863183) has the molecular formula C25H40O3Si2 and a molecular weight of 444.76 g/mol. Its IUPAC name is (5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name(5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde
PubChem CID10863183
Molecular FormulaC25H40O3Si2
Molecular Weight444.76 g/mol
Exact Mass444.25
IUPAC Name(5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde
SMILESC#C/C=C\C#C[C@]1(O[Si](CC)(CC)CC)CCC=C(C=O)[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C25H40O3Si2/c1-8-15-16-17-20-25(28-30(12-5,13-6)14-7)21-18-19-23(22-26)24(25)27-29(9-2,10-3)11-4/h1,15-16,19,22,24H,9-14,18,21H2,2-7H3/b16-15-/t24-,25+/m1/s1
InChIKeyPLNVLRWKBHNSKZ-DGTJDLLCSA-N
XLogP6.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.76
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde 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 (5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde?
The IUPAC name of (5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde (CID 10863183) is (5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde.
What is the SMILES notation for (5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde?
The canonical SMILES for (5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde is C#C/C=C\C#C[C@]1(O[Si](CC)(CC)CC)CCC=C(C=O)[C@H]1O[Si](CC)(CC)CC.
What is the InChIKey of (5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde?
The InChIKey is PLNVLRWKBHNSKZ-DGTJDLLCSA-N. The full InChI is InChI=1S/C25H40O3Si2/c1-8-15-16-17-20-25(28-30(12-5,13-6)14-7)21-18-19-23(22-26)24(25)27-29(9-2,10-3)11-4/h1,15-16,19,22,24H,9-14,18,21H2,2-7H3/b16-15-/t24-,25+/m1/s1.
What are the key properties of (5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde?
(5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde has a molecular weight of 444.76 g/mol, XLogP of 6.25, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-[(Z)-hex-3-en-1,5-diynyl]-5,6-bis(triethylsilyloxy)cyclohexene-1-carbaldehyde is sourced from PubChem (CID 10863183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).