morpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone

C17H29NO3Si — CID 175821213

IUPACmorpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone
SMILESC[Si](C)(C)CCOCC1C=CC(C(=O)N2CCOCC2)=CC1
InChIInChI=1S/C17H29NO3Si/c1-22(2,3)13-12-21-14-15-4-6-16(7-5-15)17(19)18-8-10-20-11-9-18/h4,6-7,15H,5,8-14H2,1-3H3
InChIKeyWQMBYSVTPJYACL-UHFFFAOYSA-N
MW323.51 g/mol
LogP2.70
Rot. Bonds6

About morpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone

morpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone (PubChem CID 175821213) has the molecular formula C17H29NO3Si and a molecular weight of 323.51 g/mol. Its IUPAC name is morpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone
PubChem CID175821213
Molecular FormulaC17H29NO3Si
Molecular Weight323.51 g/mol
Exact Mass323.19
IUPAC Namemorpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone
SMILESC[Si](C)(C)CCOCC1C=CC(C(=O)N2CCOCC2)=CC1
InChIInChI=1S/C17H29NO3Si/c1-22(2,3)13-12-21-14-15-4-6-16(7-5-15)17(19)18-8-10-20-11-9-18/h4,6-7,15H,5,8-14H2,1-3H3
InChIKeyWQMBYSVTPJYACL-UHFFFAOYSA-N
XLogP2.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexa-2,4-dien-1-ylmethoxy)ethyl-trimethylsilane
CID 141048919
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674
morpholin-4-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 53013984
3-amino-4-methyl-1-(4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)hexan-2-one
CID 91114607
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
morpholin-4-yl-[1-(4-pentoxybenzoyl)piperidin-4-yl]methanone
CID 112767205
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(morpholine-4-carbonyl)phenyl]urea
CID 55698561
N,N-diethyl-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096024
(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
CID 112762921
morpholin-4-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone
CID 138722432
N-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide
CID 113227794

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone (CID 175821213) is morpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone is C[Si](C)(C)CCOCC1C=CC(C(=O)N2CCOCC2)=CC1.
What is the InChIKey of morpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone?
The InChIKey is WQMBYSVTPJYACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3Si/c1-22(2,3)13-12-21-14-15-4-6-16(7-5-15)17(19)18-8-10-20-11-9-18/h4,6-7,15H,5,8-14H2,1-3H3.
What are the key properties of morpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone?
morpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone has a molecular weight of 323.51 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(2-trimethylsilylethoxymethyl)cyclohexa-1,5-dien-1-yl]methanone is sourced from PubChem (CID 175821213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).