(3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol

C16H24O5 — CID 11471994

IUPAC(3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
SMILESC=C[C@H](OCOC)[C@@H](O)CCOCc1ccc(OC)cc1
InChIInChI=1S/C16H24O5/c1-4-16(21-12-18-2)15(17)9-10-20-11-13-5-7-14(19-3)8-6-13/h4-8,15-17H,1,9-12H2,2-3H3/t15-,16-/m0/s1
InChIKeyGZKWGEFBZMHLEL-HOTGVXAUSA-N
MW296.36 g/mol
LogP2.14
Rot. Bonds11

About (3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol

(3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol (PubChem CID 11471994) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
PubChem CID11471994
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name(3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
SMILESC=C[C@H](OCOC)[C@@H](O)CCOCc1ccc(OC)cc1
InChIInChI=1S/C16H24O5/c1-4-16(21-12-18-2)15(17)9-10-20-11-13-5-7-14(19-3)8-6-13/h4-8,15-17H,1,9-12H2,2-3H3/t15-,16-/m0/s1
InChIKeyGZKWGEFBZMHLEL-HOTGVXAUSA-N
XLogP2.14
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
(1R,2S,3R)-1-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-1-phenylpentane-2,3-diol
CID 54598131
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132
(3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol
CID 89257971
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175
tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane
CID 71733102
(2R,5R)-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
CID 135011021
(3S)-1-[(4-methoxyphenyl)methoxy]hexa-4,5-dien-3-ol
CID 11770384
(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 44629947
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
(3S,4S)-1-[(4-methoxyphenyl)methoxy]-4-[[(2S)-1-phenylmethoxybut-3-en-2-yl]amino]hex-5-en-3-ol
CID 11464055

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol?
The IUPAC name of (3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol (CID 11471994) is (3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol.
What is the SMILES notation for (3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol?
The canonical SMILES for (3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol is C=C[C@H](OCOC)[C@@H](O)CCOCc1ccc(OC)cc1.
What is the InChIKey of (3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol?
The InChIKey is GZKWGEFBZMHLEL-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H24O5/c1-4-16(21-12-18-2)15(17)9-10-20-11-13-5-7-14(19-3)8-6-13/h4-8,15-17H,1,9-12H2,2-3H3/t15-,16-/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol?
(3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol has a molecular weight of 296.36 g/mol, XLogP of 2.14, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol is sourced from PubChem (CID 11471994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).