1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene

C30H50O2 — CID 140578450

IUPAC1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene
SMILESCC(C)=CCCC(C)=CC(OC/C=C(\C)CCC=C(C)C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C30H50O2/c1-24(2)13-10-16-27(7)19-21-31-30(23-29(9)18-12-15-26(5)6)32-22-20-28(8)17-11-14-25(3)4/h13-15,19-20,23,30H,10-12,16-18,21-22H2,1-9H3/b27-19+,28-20+,29-23?
InChIKeyZYJYHCZZHUCTGC-BXRRKJERSA-N
MW442.73 g/mol
LogP9.42
Rot. Bonds16

About 1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene

1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene (PubChem CID 140578450) has the molecular formula C30H50O2 and a molecular weight of 442.73 g/mol. Its IUPAC name is 1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene
PubChem CID140578450
Molecular FormulaC30H50O2
Molecular Weight442.73 g/mol
Exact Mass442.38
IUPAC Name1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene
SMILESCC(C)=CCCC(C)=CC(OC/C=C(\C)CCC=C(C)C)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C30H50O2/c1-24(2)13-10-16-27(7)19-21-31-30(23-29(9)18-12-15-26(5)6)32-22-20-28(8)17-11-14-25(3)4/h13-15,19-20,23,30H,10-12,16-18,21-22H2,1-9H3/b27-19+,28-20+,29-23?
InChIKeyZYJYHCZZHUCTGC-BXRRKJERSA-N
XLogP9.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.73
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol
CID 53435769
(2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene
CID 90239872
(2Z)-1,1-bis[(3S)-3,7-dimethyloct-6-enoxy]-3,7-dimethylocta-2,6-diene
CID 87864001
[(2E)-1-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 15212203
[(2Z)-1-methoxy-3,7-dimethylocta-2,6-dienyl]-trimethylsilane
CID 100914712
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
(Z)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-5-ethynyl-2-methyldec-4-ene
CID 24775864
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] [(2E)-3,7-dimethylocta-2,6-dienyl] borate
CID 6436996
N-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine;N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-ethylethanamine
CID 54612409
2,3-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propan-1-ol
CID 14556936
methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxypropanoate
CID 58292406

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene?
The IUPAC name of 1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene (CID 140578450) is 1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for 1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene?
The canonical SMILES for 1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene is CC(C)=CCCC(C)=CC(OC/C=C(\C)CCC=C(C)C)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of 1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene?
The InChIKey is ZYJYHCZZHUCTGC-BXRRKJERSA-N. The full InChI is InChI=1S/C30H50O2/c1-24(2)13-10-16-27(7)19-21-31-30(23-29(9)18-12-15-26(5)6)32-22-20-28(8)17-11-14-25(3)4/h13-15,19-20,23,30H,10-12,16-18,21-22H2,1-9H3/b27-19+,28-20+,29-23?.
What are the key properties of 1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene?
1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene has a molecular weight of 442.73 g/mol, XLogP of 9.42, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 140578450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).