CID 87404754

C32H67NO2Si — CID 87404754

IUPAC—
SMILESCCCCCCCCCCCCCCOC(OCCCCCCCCCCCCCC)[Si]CCCN
InChIInChI=1S/C32H67NO2Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-34-32(36-31-27-28-33)35-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h32H,3-31,33H2,1-2H3
InChIKeyMQYIQNZJYJHFDH-UHFFFAOYSA-N
MW525.98 g/mol
LogP10.18
Rot. Bonds32

About CID 87404754

CID 87404754 (PubChem CID 87404754) has the molecular formula C32H67NO2Si and a molecular weight of 525.98 g/mol.

Molecular Properties

Compound NameCID 87404754
PubChem CID87404754
Molecular FormulaC32H67NO2Si
Molecular Weight525.98 g/mol
Exact Mass525.49
IUPAC Name—
SMILESCCCCCCCCCCCCCCOC(OCCCCCCCCCCCCCC)[Si]CCCN
InChIInChI=1S/C32H67NO2Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-34-32(36-31-27-28-33)35-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h32H,3-31,33H2,1-2H3
InChIKeyMQYIQNZJYJHFDH-UHFFFAOYSA-N
XLogP10.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.98
LogP ≤ 510.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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CID 87144868
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4,4-di(tetradecoxy)butan-1-amine
CID 87630255
CID 89350423
CID 89350423
CID 20836247
CID 20836247
1-pentoxybutane-1,4-diamine
CID 141071878
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
octoxymethanediamine
CID 142625053
4-nonoxybutan-1-amine
CID 139664551
3-pentoxyhexadecan-1-amine
CID 153320725
3-dodecoxypropan-1-amine;hydrobromide
CID 173075424
3-(1-octylperoxypropan-2-yloxy)propan-1-amine
CID 87468732

Frequently Asked Questions

What is the IUPAC name of CID 87404754?
The IUPAC name of CID 87404754 (CID 87404754) is not available.
What is the SMILES notation for CID 87404754?
The canonical SMILES for CID 87404754 is CCCCCCCCCCCCCCOC(OCCCCCCCCCCCCCC)[Si]CCCN.
What is the InChIKey of CID 87404754?
The InChIKey is MQYIQNZJYJHFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H67NO2Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-34-32(36-31-27-28-33)35-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h32H,3-31,33H2,1-2H3.
What are the key properties of CID 87404754?
CID 87404754 has a molecular weight of 525.98 g/mol, XLogP of 10.18, 32 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87404754 is sourced from PubChem (CID 87404754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).