(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal

C15H26O3 — CID 11322785

IUPAC(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal
SMILESCC(C)=CCC[C@@](C)(C=O)CCC1(C)OCCO1
InChIInChI=1S/C15H26O3/c1-13(2)6-5-7-14(3,12-16)8-9-15(4)17-10-11-18-15/h6,12H,5,7-11H2,1-4H3/t14-/m1/s1
InChIKeyYWWJPVLZCKJOPE-CQSZACIVSA-N
MW254.37 g/mol
LogP3.48
Rot. Bonds7

About (2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal

(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal (PubChem CID 11322785) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal.

Molecular Properties

Compound Name(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal
PubChem CID11322785
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal
SMILESCC(C)=CCC[C@@](C)(C=O)CCC1(C)OCCO1
InChIInChI=1S/C15H26O3/c1-13(2)6-5-7-14(3,12-16)8-9-15(4)17-10-11-18-15/h6,12H,5,7-11H2,1-4H3/t14-/m1/s1
InChIKeyYWWJPVLZCKJOPE-CQSZACIVSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.48
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 (2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal?
The IUPAC name of (2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal (CID 11322785) is (2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal.
What is the SMILES notation for (2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal?
The canonical SMILES for (2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal is CC(C)=CCC[C@@](C)(C=O)CCC1(C)OCCO1.
What is the InChIKey of (2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal?
The InChIKey is YWWJPVLZCKJOPE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26O3/c1-13(2)6-5-7-14(3,12-16)8-9-15(4)17-10-11-18-15/h6,12H,5,7-11H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal?
(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal has a molecular weight of 254.37 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal is sourced from PubChem (CID 11322785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).