3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal

C16H26O3 — CID 75296786

IUPAC3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal
SMILESCC(=CC=O)CCCC(C)=CCCC1(C)OCCO1
InChIInChI=1S/C16H26O3/c1-14(6-4-7-15(2)9-11-17)8-5-10-16(3)18-12-13-19-16/h8-9,11H,4-7,10,12-13H2,1-3H3
InChIKeyBYLJLUKPFHTLRL-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.79
Rot. Bonds8

About 3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal

3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal (PubChem CID 75296786) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal.

Molecular Properties

Compound Name3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal
PubChem CID75296786
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal
SMILESCC(=CC=O)CCCC(C)=CCCC1(C)OCCO1
InChIInChI=1S/C16H26O3/c1-14(6-4-7-15(2)9-11-17)8-5-10-16(3)18-12-13-19-16/h8-9,11H,4-7,10,12-13H2,1-3H3
InChIKeyBYLJLUKPFHTLRL-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.79
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal?
The IUPAC name of 3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal (CID 75296786) is 3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal.
What is the SMILES notation for 3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal?
The canonical SMILES for 3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal is CC(=CC=O)CCCC(C)=CCCC1(C)OCCO1.
What is the InChIKey of 3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal?
The InChIKey is BYLJLUKPFHTLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-14(6-4-7-15(2)9-11-17)8-5-10-16(3)18-12-13-19-16/h8-9,11H,4-7,10,12-13H2,1-3H3.
What are the key properties of 3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal?
3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal has a molecular weight of 266.38 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-10-(2-methyl-1,3-dioxolan-2-yl)deca-2,7-dienal is sourced from PubChem (CID 75296786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).