[2-(4-octylphenyl)oxan-2-yl]silane

C19H32OSi — CID 123244691

IUPAC[2-(4-octylphenyl)oxan-2-yl]silane
SMILESCCCCCCCCc1ccc(C2([SiH3])CCCCO2)cc1
InChIInChI=1S/C19H32OSi/c1-2-3-4-5-6-7-10-17-11-13-18(14-12-17)19(21)15-8-9-16-20-19/h11-14H,2-10,15-16H2,1,21H3
InChIKeyNBHXFZQAGCBTJI-UHFFFAOYSA-N
MW304.55 g/mol
LogP4.31
Rot. Bonds8

About [2-(4-octylphenyl)oxan-2-yl]silane

[2-(4-octylphenyl)oxan-2-yl]silane (PubChem CID 123244691) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is [2-(4-octylphenyl)oxan-2-yl]silane.

Molecular Properties

Compound Name[2-(4-octylphenyl)oxan-2-yl]silane
PubChem CID123244691
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Name[2-(4-octylphenyl)oxan-2-yl]silane
SMILESCCCCCCCCc1ccc(C2([SiH3])CCCCO2)cc1
InChIInChI=1S/C19H32OSi/c1-2-3-4-5-6-7-10-17-11-13-18(14-12-17)19(21)15-8-9-16-20-19/h11-14H,2-10,15-16H2,1,21H3
InChIKeyNBHXFZQAGCBTJI-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.55
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-(4-octylphenyl)oxan-2-yl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-propoxyphenyl)oxan-2-yl]silane
CID 123149147
4-octyl-N-[4-[1-[4-(N-(4-octylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-phenylaniline
CID 164800970
(2-phenyloxan-2-yl)silane
CID 123975784
1-butyl-4-nonylbenzene
CID 59545302
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2-[1-(4-octylphenyl)cyclohexyl]-3-(1-pentylcyclohexyl)propanenitrile
CID 57149111
bis(4-decylphenyl)diazene
CID 71359462
cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene
CID 161488125
1-[2-[1-(4-chlorobutyl)cyclohexyl]ethyl]-4-pentylbenzene
CID 57060475
3,8-di(nonyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 170778877

Frequently Asked Questions

What is the IUPAC name of [2-(4-octylphenyl)oxan-2-yl]silane?
The IUPAC name of [2-(4-octylphenyl)oxan-2-yl]silane (CID 123244691) is [2-(4-octylphenyl)oxan-2-yl]silane.
What is the SMILES notation for [2-(4-octylphenyl)oxan-2-yl]silane?
The canonical SMILES for [2-(4-octylphenyl)oxan-2-yl]silane is CCCCCCCCc1ccc(C2([SiH3])CCCCO2)cc1.
What is the InChIKey of [2-(4-octylphenyl)oxan-2-yl]silane?
The InChIKey is NBHXFZQAGCBTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32OSi/c1-2-3-4-5-6-7-10-17-11-13-18(14-12-17)19(21)15-8-9-16-20-19/h11-14H,2-10,15-16H2,1,21H3.
What are the key properties of [2-(4-octylphenyl)oxan-2-yl]silane?
[2-(4-octylphenyl)oxan-2-yl]silane has a molecular weight of 304.55 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-octylphenyl)oxan-2-yl]silane is sourced from PubChem (CID 123244691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).