CID 70178555

C19H29O2Si — CID 70178555

IUPAC—
SMILESC=CCc1ccc(CCCOC2CCCCO2)c([Si](C)C)c1
InChIInChI=1S/C19H29O2Si/c1-4-8-16-11-12-17(18(15-16)22(2)3)9-7-14-21-19-10-5-6-13-20-19/h4,11-12,15,19H,1,5-10,13-14H2,2-3H3
InChIKeyKWHCATSTBLPQLG-UHFFFAOYSA-N
MW317.53 g/mol
LogP3.85
Rot. Bonds8

About CID 70178555

CID 70178555 (PubChem CID 70178555) has the molecular formula C19H29O2Si and a molecular weight of 317.53 g/mol.

Molecular Properties

Compound NameCID 70178555
PubChem CID70178555
Molecular FormulaC19H29O2Si
Molecular Weight317.53 g/mol
Exact Mass317.19
IUPAC Name—
SMILESC=CCc1ccc(CCCOC2CCCCO2)c([Si](C)C)c1
InChIInChI=1S/C19H29O2Si/c1-4-8-16-11-12-17(18(15-16)22(2)3)9-7-14-21-19-10-5-6-13-20-19/h4,11-12,15,19H,1,5-10,13-14H2,2-3H3
InChIKeyKWHCATSTBLPQLG-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
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[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
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4-[2-[(2S)-oxan-2-yl]oxyethyl]benzaldehyde
CID 86333516
2-[11-(2-bromothiophen-3-yl)undecoxy]oxane
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Frequently Asked Questions

What is the IUPAC name of CID 70178555?
The IUPAC name of CID 70178555 (CID 70178555) is not available.
What is the SMILES notation for CID 70178555?
The canonical SMILES for CID 70178555 is C=CCc1ccc(CCCOC2CCCCO2)c([Si](C)C)c1.
What is the InChIKey of CID 70178555?
The InChIKey is KWHCATSTBLPQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29O2Si/c1-4-8-16-11-12-17(18(15-16)22(2)3)9-7-14-21-19-10-5-6-13-20-19/h4,11-12,15,19H,1,5-10,13-14H2,2-3H3.
What are the key properties of CID 70178555?
CID 70178555 has a molecular weight of 317.53 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70178555 is sourced from PubChem (CID 70178555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).