7,7-dipropoxyhexadec-5-ene

C22H44O2 — CID 151695817

IUPAC7,7-dipropoxyhexadec-5-ene
SMILESCCCCC=CC(CCCCCCCCC)(OCCC)OCCC
InChIInChI=1S/C22H44O2/c1-5-9-11-13-14-15-17-19-22(23-20-7-3,24-21-8-4)18-16-12-10-6-2/h16,18H,5-15,17,19-21H2,1-4H3
InChIKeyRDNLYKGMQOYKHV-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.42
Rot. Bonds18

About 7,7-dipropoxyhexadec-5-ene

7,7-dipropoxyhexadec-5-ene (PubChem CID 151695817) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 7,7-dipropoxyhexadec-5-ene.

Molecular Properties

Compound Name7,7-dipropoxyhexadec-5-ene
PubChem CID151695817
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Name7,7-dipropoxyhexadec-5-ene
SMILESCCCCC=CC(CCCCCCCCC)(OCCC)OCCC
InChIInChI=1S/C22H44O2/c1-5-9-11-13-14-15-17-19-22(23-20-7-3,24-21-8-4)18-16-12-10-6-2/h16,18H,5-15,17,19-21H2,1-4H3
InChIKeyRDNLYKGMQOYKHV-UHFFFAOYSA-N
XLogP7.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 7,7-dipropoxyhexadec-5-ene?
The IUPAC name of 7,7-dipropoxyhexadec-5-ene (CID 151695817) is 7,7-dipropoxyhexadec-5-ene.
What is the SMILES notation for 7,7-dipropoxyhexadec-5-ene?
The canonical SMILES for 7,7-dipropoxyhexadec-5-ene is CCCCC=CC(CCCCCCCCC)(OCCC)OCCC.
What is the InChIKey of 7,7-dipropoxyhexadec-5-ene?
The InChIKey is RDNLYKGMQOYKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2/c1-5-9-11-13-14-15-17-19-22(23-20-7-3,24-21-8-4)18-16-12-10-6-2/h16,18H,5-15,17,19-21H2,1-4H3.
What are the key properties of 7,7-dipropoxyhexadec-5-ene?
7,7-dipropoxyhexadec-5-ene has a molecular weight of 340.59 g/mol, XLogP of 7.42, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dipropoxyhexadec-5-ene is sourced from PubChem (CID 151695817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).