(4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol

C17H26O3 — CID 11780859

IUPAC(4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol
SMILESC=CC[C@H](c1ccc(COCOC)cc1)[C@H](O)CCC
InChIInChI=1S/C17H26O3/c1-4-6-16(17(18)7-5-2)15-10-8-14(9-11-15)12-20-13-19-3/h4,8-11,16-18H,1,5-7,12-13H2,2-3H3/t16-,17-/m1/s1
InChIKeyNYAMMIOSRZIWNG-IAGOWNOFSA-N
MW278.39 g/mol
LogP3.63
Rot. Bonds10

About (4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol

(4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol (PubChem CID 11780859) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol.

Molecular Properties

Compound Name(4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol
PubChem CID11780859
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol
SMILESC=CC[C@H](c1ccc(COCOC)cc1)[C@H](O)CCC
InChIInChI=1S/C17H26O3/c1-4-6-16(17(18)7-5-2)15-10-8-14(9-11-15)12-20-13-19-3/h4,8-11,16-18H,1,5-7,12-13H2,2-3H3/t16-,17-/m1/s1
InChIKeyNYAMMIOSRZIWNG-IAGOWNOFSA-N
XLogP3.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene
CID 131994370
1,4-bis(methoxymethoxymethyl)benzene
CID 121009952
(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175
(3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 11471994
(3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol
CID 89257971
methyl 4-[(E)-1-hydroxy-5-[4-(methoxymethoxymethyl)phenyl]pent-4-enyl]benzoate
CID 10915635
1-(4-methoxyphenyl)hex-5-en-3-ol
CID 73210923
[(4S,6S,8S,10S)-6-methoxy-8-methyl-10-(phenylmethoxymethoxy)tridec-12-en-4-yl] benzoate
CID 25138527
(4S,8R,10S)-4-hydroxy-8-methyl-10-(phenylmethoxymethoxy)tridec-12-en-6-one
CID 25138493
1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene
CID 157248337
(1R,2S,3R)-1-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-1-phenylpentane-2,3-diol
CID 54598131
(2R,3S,4S)-3-[(4-methoxyphenyl)methoxymethoxymethyl]-4-tri(propan-2-yl)silyloxyhept-6-en-2-ol
CID 10552181

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol?
The IUPAC name of (4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol (CID 11780859) is (4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol.
What is the SMILES notation for (4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol?
The canonical SMILES for (4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol is C=CC[C@H](c1ccc(COCOC)cc1)[C@H](O)CCC.
What is the InChIKey of (4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol?
The InChIKey is NYAMMIOSRZIWNG-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H26O3/c1-4-6-16(17(18)7-5-2)15-10-8-14(9-11-15)12-20-13-19-3/h4,8-11,16-18H,1,5-7,12-13H2,2-3H3/t16-,17-/m1/s1.
What are the key properties of (4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol?
(4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol has a molecular weight of 278.39 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[4-(methoxymethoxymethyl)phenyl]oct-7-en-4-ol is sourced from PubChem (CID 11780859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).