(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol

C15H26O3 — CID 122523167

IUPAC(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
SMILESC/C(=C/CO)CC/C=C(/C)COC1CCCCO1
InChIInChI=1S/C15H26O3/c1-13(9-10-16)6-5-7-14(2)12-18-15-8-3-4-11-17-15/h7,9,15-16H,3-6,8,10-12H2,1-2H3/b13-9-,14-7-
InChIKeyYDZGVMBMEMKXNF-RJXAORMISA-N
MW254.37 g/mol
LogP3.19
Rot. Bonds7

About (2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol

(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol (PubChem CID 122523167) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol.

Molecular Properties

Compound Name(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
PubChem CID122523167
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
SMILESC/C(=C/CO)CC/C=C(/C)COC1CCCCO1
InChIInChI=1S/C15H26O3/c1-13(9-10-16)6-5-7-14(2)12-18-15-8-3-4-11-17-15/h7,9,15-16H,3-6,8,10-12H2,1-2H3/b13-9-,14-7-
InChIKeyYDZGVMBMEMKXNF-RJXAORMISA-N
XLogP3.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol with MolForge

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Related Compounds

3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 71330033
3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-3-ol
CID 67848539
[(2E,6E)-3,7-dimethyl-8-(oxolan-2-yloxy)octa-2,6-dienyl] acetate
CID 118148188
[(2E,6Z)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] acetate
CID 10469860
2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane
CID 10775534
2-[(E)-7-iodo-2-methylhept-2-enoxy]oxane
CID 10958679
2-[(E)-8,8-diiodo-2-methyloct-2-enoxy]oxane
CID 101499788
[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enyl] acetate
CID 11096364
2,7,11-trimethyl-13-(oxan-2-yloxy)trideca-2,7,11-trien-4-one
CID 54387343
5-chloro-3-[3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
CID 76512809
[3-methyl-4-(oxan-2-yloxy)but-2-enyl] methanesulfonate
CID 90823584
2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol
CID 70162877

Frequently Asked Questions

What is the IUPAC name of (2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol?
The IUPAC name of (2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol (CID 122523167) is (2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol.
What is the SMILES notation for (2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol?
The canonical SMILES for (2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol is C/C(=C/CO)CC/C=C(/C)COC1CCCCO1.
What is the InChIKey of (2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol?
The InChIKey is YDZGVMBMEMKXNF-RJXAORMISA-N. The full InChI is InChI=1S/C15H26O3/c1-13(9-10-16)6-5-7-14(2)12-18-15-8-3-4-11-17-15/h7,9,15-16H,3-6,8,10-12H2,1-2H3/b13-9-,14-7-.
What are the key properties of (2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol?
(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol has a molecular weight of 254.37 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol is sourced from PubChem (CID 122523167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).