2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane

C16H26O4 — CID 135037180

IUPAC2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane
SMILESC/C(=C\C=C/[C@H]1COC(C)(C)O1)COC1CCCCO1
InChIInChI=1S/C16H26O4/c1-13(11-18-15-9-4-5-10-17-15)7-6-8-14-12-19-16(2,3)20-14/h6-8,14-15H,4-5,9-12H2,1-3H3/b8-6-,13-7+/t14-,15?/m0/s1
InChIKeyYVVRSRJYJNQEOZ-QLSVEELGSA-N
MW282.38 g/mol
LogP3.18
Rot. Bonds5

About 2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane

2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane (PubChem CID 135037180) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane.

Molecular Properties

Compound Name2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane
PubChem CID135037180
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane
SMILESC/C(=C\C=C/[C@H]1COC(C)(C)O1)COC1CCCCO1
InChIInChI=1S/C16H26O4/c1-13(11-18-15-9-4-5-10-17-15)7-6-8-14-12-19-16(2,3)20-14/h6-8,14-15H,4-5,9-12H2,1-3H3/b8-6-,13-7+/t14-,15?/m0/s1
InChIKeyYVVRSRJYJNQEOZ-QLSVEELGSA-N
XLogP3.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]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

3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 71330033
2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane
CID 10775534
(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 122523167
(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol
CID 10664061
2-[(E)-7-iodo-2-methylhept-2-enoxy]oxane
CID 10958679
(2E,4Z)-1-(oxan-2-yloxy)hexa-2,4-dien-2-ol
CID 144852096
[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enyl] acetate
CID 11096364
3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-3-ol
CID 67848539
(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734
2-[(E)-8,8-diiodo-2-methyloct-2-enoxy]oxane
CID 101499788
(4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 11242062
[3-methyl-4-(oxan-2-yloxy)but-2-enyl] methanesulfonate
CID 90823584

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane?
The IUPAC name of 2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane (CID 135037180) is 2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane.
What is the SMILES notation for 2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane?
The canonical SMILES for 2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane is C/C(=C\C=C/[C@H]1COC(C)(C)O1)COC1CCCCO1.
What is the InChIKey of 2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane?
The InChIKey is YVVRSRJYJNQEOZ-QLSVEELGSA-N. The full InChI is InChI=1S/C16H26O4/c1-13(11-18-15-9-4-5-10-17-15)7-6-8-14-12-19-16(2,3)20-14/h6-8,14-15H,4-5,9-12H2,1-3H3/b8-6-,13-7+/t14-,15?/m0/s1.
What are the key properties of 2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane?
2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane has a molecular weight of 282.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane is sourced from PubChem (CID 135037180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).