ethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate

C19H30O7 — CID 10595340

IUPACethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate
SMILESCCOC(=O)[C@@H](OCOC)[C@H](OCOC)[C@@H](C)COCc1ccccc1
InChIInChI=1S/C19H30O7/c1-5-24-19(20)18(26-14-22-4)17(25-13-21-3)15(2)11-23-12-16-9-7-6-8-10-16/h6-10,15,17-18H,5,11-14H2,1-4H3/t15-,17+,18-/m0/s1
InChIKeyKVZTXOXVKUAVKC-JQHSSLGASA-N
MW370.44 g/mol
LogP2.38
Rot. Bonds14

About ethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate

ethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate (PubChem CID 10595340) has the molecular formula C19H30O7 and a molecular weight of 370.44 g/mol. Its IUPAC name is ethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate.

Molecular Properties

Compound Nameethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate
PubChem CID10595340
Molecular FormulaC19H30O7
Molecular Weight370.44 g/mol
Exact Mass370.20
IUPAC Nameethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate
SMILESCCOC(=O)[C@@H](OCOC)[C@H](OCOC)[C@@H](C)COCc1ccccc1
InChIInChI=1S/C19H30O7/c1-5-24-19(20)18(26-14-22-4)17(25-13-21-3)15(2)11-23-12-16-9-7-6-8-10-16/h6-10,15,17-18H,5,11-14H2,1-4H3/t15-,17+,18-/m0/s1
InChIKeyKVZTXOXVKUAVKC-JQHSSLGASA-N
XLogP2.38
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R,3S,4S,5S,6S)-2,3-dihydroxy-5-[(4-methoxyphenyl)methoxy]-4,6-dimethyl-7-phenylmethoxyheptanoate
CID 10906647
ethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate
CID 135050682
[(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene
CID 140879389
ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate
CID 11253675
methyl (2R,3S,4R,5R,6S)-3-hydroxy-2,4,6-trimethyl-5,7-bis(phenylmethoxy)heptanoate
CID 12995255
ethyl (2R,3R)-3-(furan-2-yl)-2-(methoxymethoxy)-3-(phenylmethoxycarbonylamino)propanoate
CID 11268915
2,3-dimethyl-4-phenylmethoxybutanoic acid
CID 85340536
diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate
CID 173467023
ethyl (E,4R,5R,6S)-5-hydroxy-4,6-dimethyl-7-phenylmethoxyhept-2-enoate
CID 10614616
ethyl (E,4S,5S,6R)-5-hydroxy-2,4,6-trimethyl-7-phenylmethoxyhept-2-enoate
CID 11099256
(2R,3S,4S)-2,4-dimethyl-3,5-bis(phenylmethoxy)pentanal
CID 11738903
(2S,3R,4S)-2,4-dimethyl-3,5-bis(phenylmethoxy)pentanal
CID 12995469

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate?
The IUPAC name of ethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate (CID 10595340) is ethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate.
What is the SMILES notation for ethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate?
The canonical SMILES for ethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate is CCOC(=O)[C@@H](OCOC)[C@H](OCOC)[C@@H](C)COCc1ccccc1.
What is the InChIKey of ethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate?
The InChIKey is KVZTXOXVKUAVKC-JQHSSLGASA-N. The full InChI is InChI=1S/C19H30O7/c1-5-24-19(20)18(26-14-22-4)17(25-13-21-3)15(2)11-23-12-16-9-7-6-8-10-16/h6-10,15,17-18H,5,11-14H2,1-4H3/t15-,17+,18-/m0/s1.
What are the key properties of ethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate?
ethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate has a molecular weight of 370.44 g/mol, XLogP of 2.38, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R,4S)-2,3-bis(methoxymethoxy)-4-methyl-5-phenylmethoxypentanoate is sourced from PubChem (CID 10595340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).