2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane

C21H38O3 — CID 139632039

IUPAC2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane
SMILESCOCCC(C)CC/C=C(/C)CC/C=C(/C)COC1CCCCO1
InChIInChI=1S/C21H38O3/c1-18(9-7-11-19(2)14-16-22-4)10-8-12-20(3)17-24-21-13-5-6-15-23-21/h9,12,19,21H,5-8,10-11,13-17H2,1-4H3/b18-9-,20-12-
InChIKeyBJFQCLQFZZOVDQ-FZQSDHEOSA-N
MW338.53 g/mol
LogP5.66
Rot. Bonds12

About 2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane

2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane (PubChem CID 139632039) has the molecular formula C21H38O3 and a molecular weight of 338.53 g/mol. Its IUPAC name is 2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane.

Molecular Properties

Compound Name2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane
PubChem CID139632039
Molecular FormulaC21H38O3
Molecular Weight338.53 g/mol
Exact Mass338.28
IUPAC Name2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane
SMILESCOCCC(C)CC/C=C(/C)CC/C=C(/C)COC1CCCCO1
InChIInChI=1S/C21H38O3/c1-18(9-7-11-19(2)14-16-22-4)10-8-12-20(3)17-24-21-13-5-6-15-23-21/h9,12,19,21H,5-8,10-11,13-17H2,1-4H3/b18-9-,20-12-
InChIKeyBJFQCLQFZZOVDQ-FZQSDHEOSA-N
XLogP5.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.53
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E)-3,7-dimethylocta-2,6-dienoxy]tetrahydropyran
CID 10889987
all-trans-Farnesol Tetrahydropyranyl Ether
CID 10638386
3,7-Dimethyl-1,10-dioxaspiro[4.5]dec-3-ene
CID 10535117
2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]tetrahydropyran
CID 10861694
2-[(2E,6E)-9-cyclohexyl-3,7-dimethyl-nona-2,6-dienoxy]tetrahydropyran
CID 12116735
Farnesol tetrahydropyranyl ether
CID 54481143
tetrahydro-2-[[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]oxy]-2H-pyran
CID 70394574
2-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-5-propyloxane
CID 143889320
2-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-5-ethyloxane
CID 143889560
2-[(2E,5E,9E)-6,10,14-trimethyl-2-[2-(oxan-2-yloxy)ethylidene]pentadeca-5,9,13-trienoxy]oxane
CID 11005259
(3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 101228533
2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
CID 135050594

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane?
The IUPAC name of 2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane (CID 139632039) is 2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane.
What is the SMILES notation for 2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane?
The canonical SMILES for 2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane is COCCC(C)CC/C=C(/C)CC/C=C(/C)COC1CCCCO1.
What is the InChIKey of 2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane?
The InChIKey is BJFQCLQFZZOVDQ-FZQSDHEOSA-N. The full InChI is InChI=1S/C21H38O3/c1-18(9-7-11-19(2)14-16-22-4)10-8-12-20(3)17-24-21-13-5-6-15-23-21/h9,12,19,21H,5-8,10-11,13-17H2,1-4H3/b18-9-,20-12-.
What are the key properties of 2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane?
2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane has a molecular weight of 338.53 g/mol, XLogP of 5.66, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,6Z)-12-methoxy-2,6,10-trimethyldodeca-2,6-dienoxy]oxane is sourced from PubChem (CID 139632039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).