(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal

C18H26O5 — CID 11088567

IUPAC(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal
SMILESCCC1(CC)OC[C@H]([C@@H](CC=O)OCc2ccc(OC)cc2)O1
InChIInChI=1S/C18H26O5/c1-4-18(5-2)22-13-17(23-18)16(10-11-19)21-12-14-6-8-15(20-3)9-7-14/h6-9,11,16-17H,4-5,10,12-13H2,1-3H3/t16-,17-/m1/s1
InChIKeyMWXCFCGNZAWSKX-IAGOWNOFSA-N
MW322.40 g/mol
LogP3.10
Rot. Bonds9

About (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal

(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal (PubChem CID 11088567) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal.

Molecular Properties

Compound Name(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal
PubChem CID11088567
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Name(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal
SMILESCCC1(CC)OC[C@H]([C@@H](CC=O)OCc2ccc(OC)cc2)O1
InChIInChI=1S/C18H26O5/c1-4-18(5-2)22-13-17(23-18)16(10-11-19)21-12-14-6-8-15(20-3)9-7-14/h6-9,11,16-17H,4-5,10,12-13H2,1-3H3/t16-,17-/m1/s1
InChIKeyMWXCFCGNZAWSKX-IAGOWNOFSA-N
XLogP3.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 11185547
[(5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(4-methoxyphenyl)methoxy]pent-2-enyl] 2,2-dimethylpropanoate
CID 91516168
(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropane-1,2-diol
CID 72708076
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
(2S)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]tridecyl]oxirane
CID 10406372
(3S)-3-[(2S)-2-[(4-methoxyphenyl)methoxy]propyl]-2,2-dimethyloxirane
CID 102348878
(2R)-2-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyethyl]oxirane
CID 140633194
4-[1-(4-methoxyphenyl)butyl]-2,2-dimethyl-1,3-dioxolane
CID 173280424
(2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane
CID 11097940
(3R)-3-[(2R,3R,5R,6R)-3-hydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]-3-[(4-methoxyphenyl)methoxy]propanal
CID 11191617
ethyl 2-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methoxyphenyl)methoxy]acetate
CID 11012767
(3S)-3-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-5-phenylmethoxypentanal
CID 53362814

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal?
The IUPAC name of (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal (CID 11088567) is (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal.
What is the SMILES notation for (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal?
The canonical SMILES for (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal is CCC1(CC)OC[C@H]([C@@H](CC=O)OCc2ccc(OC)cc2)O1.
What is the InChIKey of (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal?
The InChIKey is MWXCFCGNZAWSKX-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H26O5/c1-4-18(5-2)22-13-17(23-18)16(10-11-19)21-12-14-6-8-15(20-3)9-7-14/h6-9,11,16-17H,4-5,10,12-13H2,1-3H3/t16-,17-/m1/s1.
What are the key properties of (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal?
(3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal has a molecular weight of 322.40 g/mol, XLogP of 3.10, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-3-[(4-methoxyphenyl)methoxy]propanal is sourced from PubChem (CID 11088567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).