(2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

C14H16Cl2O4 — CID 10710734

IUPAC(2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESCC1(C)OC[C@H]([C@H](C=O)OCc2c(Cl)cccc2Cl)O1
InChIInChI=1S/C14H16Cl2O4/c1-14(2)19-8-13(20-14)12(6-17)18-7-9-10(15)4-3-5-11(9)16/h3-6,12-13H,7-8H2,1-2H3/t12-,13+/m0/s1
InChIKeyUXOQZZMRPOBDPR-QWHCGFSZSA-N
MW319.18 g/mol
LogP3.23
Rot. Bonds5

About (2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

(2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (PubChem CID 10710734) has the molecular formula C14H16Cl2O4 and a molecular weight of 319.18 g/mol. Its IUPAC name is (2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.

Molecular Properties

Compound Name(2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
PubChem CID10710734
Molecular FormulaC14H16Cl2O4
Molecular Weight319.18 g/mol
Exact Mass318.04
IUPAC Name(2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
SMILESCC1(C)OC[C@H]([C@H](C=O)OCc2c(Cl)cccc2Cl)O1
InChIInChI=1S/C14H16Cl2O4/c1-14(2)19-8-13(20-14)12(6-17)18-7-9-10(15)4-3-5-11(9)16/h3-6,12-13H,7-8H2,1-2H3/t12-,13+/m0/s1
InChIKeyUXOQZZMRPOBDPR-QWHCGFSZSA-N
XLogP3.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde
CID 10729339
(1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
CID 10718333
(1R,2R)-1-[(2,6-dichlorophenyl)methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 10695308
2-[(2,6-dichlorophenyl)methoxy]propanal
CID 71342510
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyacetaldehyde
CID 10986767
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde
CID 11149311
methyl (E,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxybut-2-enoate
CID 11716472
3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanal
CID 12641543
(4R)-2,2-dimethyl-4-[(E,1R)-2-methyl-1-phenylmethoxybut-2-enyl]-1,3-dioxolane
CID 15311099
(1S,2S)-2-[[2-[[(1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethoxy]methyl]phenyl]methoxy]-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 102376072
(4R)-2,2-dimethyl-4-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]-1,3-dioxolane
CID 102375766
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
CID 129075073

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The IUPAC name of (2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde (CID 10710734) is (2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde.
What is the SMILES notation for (2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The canonical SMILES for (2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is CC1(C)OC[C@H]([C@H](C=O)OCc2c(Cl)cccc2Cl)O1.
What is the InChIKey of (2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
The InChIKey is UXOQZZMRPOBDPR-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H16Cl2O4/c1-14(2)19-8-13(20-14)12(6-17)18-7-9-10(15)4-3-5-11(9)16/h3-6,12-13H,7-8H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde?
(2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde has a molecular weight of 319.18 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,6-dichlorophenyl)methoxy]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde is sourced from PubChem (CID 10710734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).