2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane

C26H34O4 — CID 123739444

IUPAC2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane
SMILESC=CCCC(C)OC1OC(C)C(OCc2ccccc2)CC1OCc1ccccc1
InChIInChI=1S/C26H34O4/c1-4-5-12-20(2)29-26-25(28-19-23-15-10-7-11-16-23)17-24(21(3)30-26)27-18-22-13-8-6-9-14-22/h4,6-11,13-16,20-21,24-26H,1,5,12,17-19H2,2-3H3
InChIKeyCLINIGAJORSSBJ-UHFFFAOYSA-N
MW410.55 g/mol
LogP5.66
Rot. Bonds11

About 2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane

2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane (PubChem CID 123739444) has the molecular formula C26H34O4 and a molecular weight of 410.55 g/mol. Its IUPAC name is 2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane.

Molecular Properties

Compound Name2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane
PubChem CID123739444
Molecular FormulaC26H34O4
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane
SMILESC=CCCC(C)OC1OC(C)C(OCc2ccccc2)CC1OCc1ccccc1
InChIInChI=1S/C26H34O4/c1-4-5-12-20(2)29-26-25(28-19-23-15-10-7-11-16-23)17-24(21(3)30-26)27-18-22-13-8-6-9-14-22/h4,6-11,13-16,20-21,24-26H,1,5,12,17-19H2,2-3H3
InChIKeyCLINIGAJORSSBJ-UHFFFAOYSA-N
XLogP5.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane
CID 14133730
[(3R,5R,6R)-6-methyl-3,5-bis(phenylmethoxy)oxan-2-yl] acetate
CID 11132398
(2S,3S,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane
CID 15000119
2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane
CID 42609162
(2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane
CID 46914368
(1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol
CID 170851181
(2R,3R,6R)-2-methyl-5-phenylmethoxy-6-prop-2-enoxyoxane-3,4-diol
CID 170516720
(2R,3S,4S,5R,6R)-2-methyl-3-[(2R,3R,4S,5S,6R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane
CID 11377812
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135
[(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 139492016
(2S,3S,5R,6S)-2-(iodomethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxane
CID 10917646

Frequently Asked Questions

What is the IUPAC name of 2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane?
The IUPAC name of 2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane (CID 123739444) is 2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane.
What is the SMILES notation for 2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane?
The canonical SMILES for 2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane is C=CCCC(C)OC1OC(C)C(OCc2ccccc2)CC1OCc1ccccc1.
What is the InChIKey of 2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane?
The InChIKey is CLINIGAJORSSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O4/c1-4-5-12-20(2)29-26-25(28-19-23-15-10-7-11-16-23)17-24(21(3)30-26)27-18-22-13-8-6-9-14-22/h4,6-11,13-16,20-21,24-26H,1,5,12,17-19H2,2-3H3.
What are the key properties of 2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane?
2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane has a molecular weight of 410.55 g/mol, XLogP of 5.66, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-en-2-yloxy-6-methyl-3,5-bis(phenylmethoxy)oxane is sourced from PubChem (CID 123739444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).