6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde

C12H18O3 — CID 11790480

IUPAC6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde
SMILESC=CCC1(C=O)CCCCC12OCCO2
InChIInChI=1S/C12H18O3/c1-2-5-11(10-13)6-3-4-7-12(11)14-8-9-15-12/h2,10H,1,3-9H2
InChIKeyMCAIPNLJJFEEFI-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.06
Rot. Bonds3

About 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde

6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde (PubChem CID 11790480) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde.

Molecular Properties

Compound Name6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde
PubChem CID11790480
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde
SMILESC=CCC1(C=O)CCCCC12OCCO2
InChIInChI=1S/C12H18O3/c1-2-5-11(10-13)6-3-4-7-12(11)14-8-9-15-12/h2,10H,1,3-9H2
InChIKeyMCAIPNLJJFEEFI-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde?
The IUPAC name of 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde (CID 11790480) is 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde.
What is the SMILES notation for 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde?
The canonical SMILES for 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde is C=CCC1(C=O)CCCCC12OCCO2.
What is the InChIKey of 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde?
The InChIKey is MCAIPNLJJFEEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-2-5-11(10-13)6-3-4-7-12(11)14-8-9-15-12/h2,10H,1,3-9H2.
What are the key properties of 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde?
6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde has a molecular weight of 210.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carbaldehyde is sourced from PubChem (CID 11790480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).