(4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol

C18H28O5 — CID 101492836

IUPAC(4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol
SMILESC=CC[C@H](O)C[C@H](CCc1ccc(OCOC)cc1)OCOC
InChIInChI=1S/C18H28O5/c1-4-5-16(19)12-18(23-14-21-3)11-8-15-6-9-17(10-7-15)22-13-20-2/h4,6-7,9-10,16,18-19H,1,5,8,11-14H2,2-3H3/t16-,18-/m0/s1
InChIKeyCMEUPSCOBUMHNA-WMZOPIPTSA-N
MW324.42 g/mol
LogP2.92
Rot. Bonds13

About (4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol

(4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol (PubChem CID 101492836) has the molecular formula C18H28O5 and a molecular weight of 324.42 g/mol. Its IUPAC name is (4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol.

Molecular Properties

Compound Name(4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol
PubChem CID101492836
Molecular FormulaC18H28O5
Molecular Weight324.42 g/mol
Exact Mass324.19
IUPAC Name(4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol
SMILESC=CC[C@H](O)C[C@H](CCc1ccc(OCOC)cc1)OCOC
InChIInChI=1S/C18H28O5/c1-4-5-16(19)12-18(23-14-21-3)11-8-15-6-9-17(10-7-15)22-13-20-2/h4,6-7,9-10,16,18-19H,1,5,8,11-14H2,2-3H3/t16-,18-/m0/s1
InChIKeyCMEUPSCOBUMHNA-WMZOPIPTSA-N
XLogP2.92
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(4-methoxyphenyl)hex-5-en-3-ol
CID 73210923
ethyl (E,5S)-5-(methoxymethoxy)-7-[4-(methoxymethoxy)phenyl]hept-2-enoate
CID 101492834
1-butyl-4-[2-(methoxymethoxy)-3-prop-2-enoxypropoxy]benzene
CID 20764741
2-[4-(methoxymethoxy)phenyl]ethanol
CID 16638841
1-[4-(2-aminoethyl)phenoxy]pent-4-en-2-ol
CID 118016842
(3R)-5-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]-6-methylnon-8-en-3-ol
CID 89257971
1-butyl-4-[2-(methoxymethoxy)-3-prop-2-enoxypropoxy]benzene;1-hexyl-4-[2-(methoxymethoxy)-3-prop-2-enoxypropoxy]benzene;methane;1-[2-(methoxymethoxy)-3-prop-2-enoxypropoxy]-4-nonylbenzene;1-[2-(methoxymethoxy)-3-prop-2-enoxypropoxy]-4-octylbenzene
CID 158921135
1,4-bis(methoxymethoxy)benzene
CID 542643
[4-(methoxymethoxy)phenyl]methanol
CID 11607984
[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
CID 101457567
(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175
1-ethyl-4-(methoxymethoxy)benzene
CID 54365082

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol?
The IUPAC name of (4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol (CID 101492836) is (4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol.
What is the SMILES notation for (4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol?
The canonical SMILES for (4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol is C=CC[C@H](O)C[C@H](CCc1ccc(OCOC)cc1)OCOC.
What is the InChIKey of (4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol?
The InChIKey is CMEUPSCOBUMHNA-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H28O5/c1-4-5-16(19)12-18(23-14-21-3)11-8-15-6-9-17(10-7-15)22-13-20-2/h4,6-7,9-10,16,18-19H,1,5,8,11-14H2,2-3H3/t16-,18-/m0/s1.
What are the key properties of (4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol?
(4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol has a molecular weight of 324.42 g/mol, XLogP of 2.92, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-6-(methoxymethoxy)-8-[4-(methoxymethoxy)phenyl]oct-1-en-4-ol is sourced from PubChem (CID 101492836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).