cis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one

C17H32O5Si — CID 173496628

IUPACcis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one
SMILESCOCOCCC=C1[C@H](CC(C)(C)[Si](C)(C)O)CC(=O)C[C@H]1O
InChIInChI=1S/C17H32O5Si/c1-17(2,23(4,5)20)11-13-9-14(18)10-16(19)15(13)7-6-8-22-12-21-3/h7,13,16,19-20H,6,8-12H2,1-5H3/t13-,16+/m0/s1
InChIKeyUMJRTMQMJUQNQY-XJKSGUPXSA-N
MW344.52 g/mol
LogP2.63
Rot. Bonds8

About cis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one

cis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one (PubChem CID 173496628) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is cis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one.

Molecular Properties

Compound Namecis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one
PubChem CID173496628
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Namecis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one
SMILESCOCOCCC=C1[C@H](CC(C)(C)[Si](C)(C)O)CC(=O)C[C@H]1O
InChIInChI=1S/C17H32O5Si/c1-17(2,23(4,5)20)11-13-9-14(18)10-16(19)15(13)7-6-8-22-12-21-3/h7,13,16,19-20H,6,8-12H2,1-5H3/t13-,16+/m0/s1
InChIKeyUMJRTMQMJUQNQY-XJKSGUPXSA-N
XLogP2.63
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-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 cis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one?
The IUPAC name of cis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one (CID 173496628) is cis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one.
What is the SMILES notation for cis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one?
The canonical SMILES for cis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one is COCOCCC=C1[C@H](CC(C)(C)[Si](C)(C)O)CC(=O)C[C@H]1O.
What is the InChIKey of cis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one?
The InChIKey is UMJRTMQMJUQNQY-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-17(2,23(4,5)20)11-13-9-14(18)10-16(19)15(13)7-6-8-22-12-21-3/h7,13,16,19-20H,6,8-12H2,1-5H3/t13-,16+/m0/s1.
What are the key properties of cis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one?
cis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one has a molecular weight of 344.52 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,5S)-3-hydroxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexan-1-one is sourced from PubChem (CID 173496628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).