CID 89325101

C17H27BO4Si — CID 89325101

IUPAC—
SMILES[B]c1cc(OC)c(C)cc1C(=O)CCOCOCC[Si](C)(C)C
InChIInChI=1S/C17H27BO4Si/c1-13-10-14(15(18)11-17(13)20-2)16(19)6-7-21-12-22-8-9-23(3,4)5/h10-11H,6-9,12H2,1-5H3
InChIKeyMYYIKVIUIYMVIP-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.70
Rot. Bonds10

About CID 89325101

CID 89325101 (PubChem CID 89325101) has the molecular formula C17H27BO4Si and a molecular weight of 334.30 g/mol.

Molecular Properties

Compound NameCID 89325101
PubChem CID89325101
Molecular FormulaC17H27BO4Si
Molecular Weight334.30 g/mol
Exact Mass334.18
IUPAC Name—
SMILES[B]c1cc(OC)c(C)cc1C(=O)CCOCOCC[Si](C)(C)C
InChIInChI=1S/C17H27BO4Si/c1-13-10-14(15(18)11-17(13)20-2)16(19)6-7-21-12-22-8-9-23(3,4)5/h10-11H,6-9,12H2,1-5H3
InChIKeyMYYIKVIUIYMVIP-UHFFFAOYSA-N
XLogP2.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 105127255
3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 82053835
1-(4-methoxy-2,5-dimethylphenyl)pentane-1,4-dione
CID 94686157
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
CID 113370093
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butane-1,3-dione
CID 98579550
4-(2-methoxy-4,5-dimethylphenyl)-4-oxobutanoic acid
CID 82049173
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 105084772
4-hydroxy-1-(2-methoxy-4,5-dimethylphenyl)butan-1-one
CID 94258854
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 115797651
N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid
CID 158871695
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043

Frequently Asked Questions

What is the IUPAC name of CID 89325101?
The IUPAC name of CID 89325101 (CID 89325101) is not available.
What is the SMILES notation for CID 89325101?
The canonical SMILES for CID 89325101 is [B]c1cc(OC)c(C)cc1C(=O)CCOCOCC[Si](C)(C)C.
What is the InChIKey of CID 89325101?
The InChIKey is MYYIKVIUIYMVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BO4Si/c1-13-10-14(15(18)11-17(13)20-2)16(19)6-7-21-12-22-8-9-23(3,4)5/h10-11H,6-9,12H2,1-5H3.
What are the key properties of CID 89325101?
CID 89325101 has a molecular weight of 334.30 g/mol, XLogP of 2.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89325101 is sourced from PubChem (CID 89325101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).