2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane

C14H24O2 — CID 10775534

IUPAC2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane
SMILESCC(C)=CC/C=C(/C)COC1CCCCO1
InChIInChI=1S/C14H24O2/c1-12(2)7-6-8-13(3)11-16-14-9-4-5-10-15-14/h7-8,14H,4-6,9-11H2,1-3H3/b13-8-
InChIKeyHMKFHLSMNRMBBJ-JYRVWZFOSA-N
MW224.34 g/mol
LogP3.83
Rot. Bonds5

About 2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane

2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane (PubChem CID 10775534) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane.

Molecular Properties

Compound Name2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane
PubChem CID10775534
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane
SMILESCC(C)=CC/C=C(/C)COC1CCCCO1
InChIInChI=1S/C14H24O2/c1-12(2)7-6-8-13(3)11-16-14-9-4-5-10-15-14/h7-8,14H,4-6,9-11H2,1-3H3/b13-8-
InChIKeyHMKFHLSMNRMBBJ-JYRVWZFOSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 71330033
(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 122523167
[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enyl] acetate
CID 11096364
2-[(E)-7-iodo-2-methylhept-2-enoxy]oxane
CID 10958679
[3-methyl-4-(oxan-2-yloxy)but-2-enyl] methanesulfonate
CID 90823584
2-[(E)-8,8-diiodo-2-methyloct-2-enoxy]oxane
CID 101499788
3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-3-ol
CID 67848539
(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 59748857
2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane
CID 102410963
[(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-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane
CID 135037180

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane?
The IUPAC name of 2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane (CID 10775534) is 2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane.
What is the SMILES notation for 2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane?
The canonical SMILES for 2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane is CC(C)=CC/C=C(/C)COC1CCCCO1.
What is the InChIKey of 2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane?
The InChIKey is HMKFHLSMNRMBBJ-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H24O2/c1-12(2)7-6-8-13(3)11-16-14-9-4-5-10-15-14/h7-8,14H,4-6,9-11H2,1-3H3/b13-8-.
What are the key properties of 2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane?
2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane has a molecular weight of 224.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane is sourced from PubChem (CID 10775534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).