1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde

C15H26O3 — CID 24976496

IUPAC1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde
SMILESO=CC1CCCCCCCCCC2(C1)OCCO2
InChIInChI=1S/C15H26O3/c16-13-14-8-6-4-2-1-3-5-7-9-15(12-14)17-10-11-18-15/h13-14H,1-12H2
InChIKeyQAURXLFZCIBWDZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.46
Rot. Bonds1

About 1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde

1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde (PubChem CID 24976496) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde.

Molecular Properties

Compound Name1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde
PubChem CID24976496
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde
SMILESO=CC1CCCCCCCCCC2(C1)OCCO2
InChIInChI=1S/C15H26O3/c16-13-14-8-6-4-2-1-3-5-7-9-15(12-14)17-10-11-18-15/h13-14H,1-12H2
InChIKeyQAURXLFZCIBWDZ-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde?
The IUPAC name of 1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde (CID 24976496) is 1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde.
What is the SMILES notation for 1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde?
The canonical SMILES for 1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde is O=CC1CCCCCCCCCC2(C1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde?
The InChIKey is QAURXLFZCIBWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c16-13-14-8-6-4-2-1-3-5-7-9-15(12-14)17-10-11-18-15/h13-14H,1-12H2.
What are the key properties of 1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde?
1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde has a molecular weight of 254.37 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.11]hexadecane-7-carbaldehyde is sourced from PubChem (CID 24976496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).