[(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate

C20H34O4 — CID 11727490

IUPAC[(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate
SMILESC/C(=C\COC1CCCCO1)CC/C=C(\C)COC(=O)C(C)(C)C
InChIInChI=1S/C20H34O4/c1-16(12-14-23-18-11-6-7-13-22-18)9-8-10-17(2)15-24-19(21)20(3,4)5/h10,12,18H,6-9,11,13-15H2,1-5H3/b16-12+,17-10+
InChIKeyRWVTUNIQJXAPKN-VMHPKHSQSA-N
MW338.49 g/mol
LogP4.79
Rot. Bonds8

About [(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate

[(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate (PubChem CID 11727490) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is [(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate
PubChem CID11727490
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name[(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate
SMILESC/C(=C\COC1CCCCO1)CC/C=C(\C)COC(=O)C(C)(C)C
InChIInChI=1S/C20H34O4/c1-16(12-14-23-18-11-6-7-13-22-18)9-8-10-17(2)15-24-19(21)20(3,4)5/h10,12,18H,6-9,11,13-15H2,1-5H3/b16-12+,17-10+
InChIKeyRWVTUNIQJXAPKN-VMHPKHSQSA-N
XLogP4.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

all-trans-Farnesol Tetrahydropyranyl Ether
CID 10638386
2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]tetrahydropyran
CID 10861694
ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate
CID 14214227
(5E,9E)-6,10-dimethyl-11-(oxan-2-yloxy)undeca-5,9-dien-2-one
CID 10085835
Farnesol tetrahydropyranyl ether
CID 54481143
tetrahydro-2-[[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]oxy]-2H-pyran
CID 70394574
ethyl (Z)-3-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]hept-2-enoate
CID 5469969
ethyl (E)-7-methyl-8-tetrahydropyran-2-yloxy-oct-6-en-2-ynoate
CID 5387846
2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane
CID 11005259
methyl (E)-6-(oxan-2-yloxy)hex-4-enoate
CID 13860243
ethyl (E)-5-(1,3-dioxan-2-yl)-3-methylpent-2-enoate
CID 132536224
methyl (2Z,6Z)-10,10-diethoxy-3-ethyl-7-methyldeca-2,6-dienoate
CID 134830571

Frequently Asked Questions

What is the IUPAC name of [(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate (CID 11727490) is [(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate is C/C(=C\COC1CCCCO1)CC/C=C(\C)COC(=O)C(C)(C)C.
What is the InChIKey of [(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate?
The InChIKey is RWVTUNIQJXAPKN-VMHPKHSQSA-N. The full InChI is InChI=1S/C20H34O4/c1-16(12-14-23-18-11-6-7-13-22-18)9-8-10-17(2)15-24-19(21)20(3,4)5/h10,12,18H,6-9,11,13-15H2,1-5H3/b16-12+,17-10+.
What are the key properties of [(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate?
[(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate has a molecular weight of 338.49 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 11727490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).