9,9-diethoxycyclohexadecene

C20H38O2 — CID 54260889

IUPAC9,9-diethoxycyclohexadecene
SMILESCCOC1(OCC)CCCCCCC=CCCCCCCC1
InChIInChI=1S/C20H38O2/c1-3-21-20(22-4-2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-20/h5-6H,3-4,7-19H2,1-2H3
InChIKeyRDKUBMJDTWOZNK-UHFFFAOYSA-N
MW310.52 g/mol
LogP6.40
Rot. Bonds4

About 9,9-diethoxycyclohexadecene

9,9-diethoxycyclohexadecene (PubChem CID 54260889) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 9,9-diethoxycyclohexadecene.

Molecular Properties

Compound Name9,9-diethoxycyclohexadecene
PubChem CID54260889
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name9,9-diethoxycyclohexadecene
SMILESCCOC1(OCC)CCCCCCC=CCCCCCCC1
InChIInChI=1S/C20H38O2/c1-3-21-20(22-4-2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-20/h5-6H,3-4,7-19H2,1-2H3
InChIKeyRDKUBMJDTWOZNK-UHFFFAOYSA-N
XLogP6.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-diethoxycyclohexadecene?
The IUPAC name of 9,9-diethoxycyclohexadecene (CID 54260889) is 9,9-diethoxycyclohexadecene.
What is the SMILES notation for 9,9-diethoxycyclohexadecene?
The canonical SMILES for 9,9-diethoxycyclohexadecene is CCOC1(OCC)CCCCCCC=CCCCCCCC1.
What is the InChIKey of 9,9-diethoxycyclohexadecene?
The InChIKey is RDKUBMJDTWOZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-3-21-20(22-4-2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-20/h5-6H,3-4,7-19H2,1-2H3.
What are the key properties of 9,9-diethoxycyclohexadecene?
9,9-diethoxycyclohexadecene has a molecular weight of 310.52 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethoxycyclohexadecene is sourced from PubChem (CID 54260889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).