3,3-diethyl-1,5-diheptoxypentane

C23H48O2 — CID 87840260

IUPAC3,3-diethyl-1,5-diheptoxypentane
SMILESCCCCCCCOCCC(CC)(CC)CCOCCCCCCC
InChIInChI=1S/C23H48O2/c1-5-9-11-13-15-19-24-21-17-23(7-3,8-4)18-22-25-20-16-14-12-10-6-2/h5-22H2,1-4H3
InChIKeySGGFAQNRKUBVMR-UHFFFAOYSA-N
MW356.64 g/mol
LogP7.55
Rot. Bonds20

About 3,3-diethyl-1,5-diheptoxypentane

3,3-diethyl-1,5-diheptoxypentane (PubChem CID 87840260) has the molecular formula C23H48O2 and a molecular weight of 356.64 g/mol. Its IUPAC name is 3,3-diethyl-1,5-diheptoxypentane.

Molecular Properties

Compound Name3,3-diethyl-1,5-diheptoxypentane
PubChem CID87840260
Molecular FormulaC23H48O2
Molecular Weight356.64 g/mol
Exact Mass356.37
IUPAC Name3,3-diethyl-1,5-diheptoxypentane
SMILESCCCCCCCOCCC(CC)(CC)CCOCCCCCCC
InChIInChI=1S/C23H48O2/c1-5-9-11-13-15-19-24-21-17-23(7-3,8-4)18-22-25-20-16-14-12-10-6-2/h5-22H2,1-4H3
InChIKeySGGFAQNRKUBVMR-UHFFFAOYSA-N
XLogP7.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1,5-diheptoxypentane?
The IUPAC name of 3,3-diethyl-1,5-diheptoxypentane (CID 87840260) is 3,3-diethyl-1,5-diheptoxypentane.
What is the SMILES notation for 3,3-diethyl-1,5-diheptoxypentane?
The canonical SMILES for 3,3-diethyl-1,5-diheptoxypentane is CCCCCCCOCCC(CC)(CC)CCOCCCCCCC.
What is the InChIKey of 3,3-diethyl-1,5-diheptoxypentane?
The InChIKey is SGGFAQNRKUBVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O2/c1-5-9-11-13-15-19-24-21-17-23(7-3,8-4)18-22-25-20-16-14-12-10-6-2/h5-22H2,1-4H3.
What are the key properties of 3,3-diethyl-1,5-diheptoxypentane?
3,3-diethyl-1,5-diheptoxypentane has a molecular weight of 356.64 g/mol, XLogP of 7.55, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1,5-diheptoxypentane is sourced from PubChem (CID 87840260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).