6-(2-methyl-1,3-dioxolan-2-yl)hexanal

C10H18O3 — CID 11052346

IUPAC6-(2-methyl-1,3-dioxolan-2-yl)hexanal
SMILESCC1(CCCCCC=O)OCCO1
InChIInChI=1S/C10H18O3/c1-10(12-8-9-13-10)6-4-2-3-5-7-11/h7H,2-6,8-9H2,1H3
InChIKeyOSUUKELWLSBXKB-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.90
Rot. Bonds6

About 6-(2-methyl-1,3-dioxolan-2-yl)hexanal

6-(2-methyl-1,3-dioxolan-2-yl)hexanal (PubChem CID 11052346) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-(2-methyl-1,3-dioxolan-2-yl)hexanal.

Molecular Properties

Compound Name6-(2-methyl-1,3-dioxolan-2-yl)hexanal
PubChem CID11052346
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name6-(2-methyl-1,3-dioxolan-2-yl)hexanal
SMILESCC1(CCCCCC=O)OCCO1
InChIInChI=1S/C10H18O3/c1-10(12-8-9-13-10)6-4-2-3-5-7-11/h7H,2-6,8-9H2,1H3
InChIKeyOSUUKELWLSBXKB-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,3-dioxolan-2-yl)hexanal?
The IUPAC name of 6-(2-methyl-1,3-dioxolan-2-yl)hexanal (CID 11052346) is 6-(2-methyl-1,3-dioxolan-2-yl)hexanal.
What is the SMILES notation for 6-(2-methyl-1,3-dioxolan-2-yl)hexanal?
The canonical SMILES for 6-(2-methyl-1,3-dioxolan-2-yl)hexanal is CC1(CCCCCC=O)OCCO1.
What is the InChIKey of 6-(2-methyl-1,3-dioxolan-2-yl)hexanal?
The InChIKey is OSUUKELWLSBXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(12-8-9-13-10)6-4-2-3-5-7-11/h7H,2-6,8-9H2,1H3.
What are the key properties of 6-(2-methyl-1,3-dioxolan-2-yl)hexanal?
6-(2-methyl-1,3-dioxolan-2-yl)hexanal has a molecular weight of 186.25 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,3-dioxolan-2-yl)hexanal is sourced from PubChem (CID 11052346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).