8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol

C15H24Cl2O3 — CID 15521437

IUPAC8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol
SMILESCCCCCCCCC1(O)CC2(OCCO2)C(Cl)=C1Cl
InChIInChI=1S/C15H24Cl2O3/c1-2-3-4-5-6-7-8-14(18)11-15(13(17)12(14)16)19-9-10-20-15/h18H,2-11H2,1H3
InChIKeyHHMHQGMQYAQUNP-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.30
Rot. Bonds7

About 8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol

8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol (PubChem CID 15521437) has the molecular formula C15H24Cl2O3 and a molecular weight of 323.26 g/mol. Its IUPAC name is 8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol.

Molecular Properties

Compound Name8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol
PubChem CID15521437
Molecular FormulaC15H24Cl2O3
Molecular Weight323.26 g/mol
Exact Mass322.11
IUPAC Name8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol
SMILESCCCCCCCCC1(O)CC2(OCCO2)C(Cl)=C1Cl
InChIInChI=1S/C15H24Cl2O3/c1-2-3-4-5-6-7-8-14(18)11-15(13(17)12(14)16)19-9-10-20-15/h18H,2-11H2,1H3
InChIKeyHHMHQGMQYAQUNP-UHFFFAOYSA-N
XLogP4.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol?
The IUPAC name of 8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol (CID 15521437) is 8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol.
What is the SMILES notation for 8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol?
The canonical SMILES for 8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol is CCCCCCCCC1(O)CC2(OCCO2)C(Cl)=C1Cl.
What is the InChIKey of 8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol?
The InChIKey is HHMHQGMQYAQUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2O3/c1-2-3-4-5-6-7-8-14(18)11-15(13(17)12(14)16)19-9-10-20-15/h18H,2-11H2,1H3.
What are the key properties of 8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol?
8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol has a molecular weight of 323.26 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dichloro-7-octyl-1,4-dioxaspiro[4.4]non-8-en-7-ol is sourced from PubChem (CID 15521437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).