2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane

C14H18O2 — CID 11020362

IUPAC2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane
SMILESCC#C/C=C(/C)C#CCOC1CCCCO1
InChIInChI=1S/C14H18O2/c1-3-4-8-13(2)9-7-12-16-14-10-5-6-11-15-14/h8,14H,5-6,10-12H2,1-2H3/b13-8-
InChIKeyUWILOHRSQPPMKM-JYRVWZFOSA-N
MW218.30 g/mol
LogP2.50
Rot. Bonds2

About 2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane

2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane (PubChem CID 11020362) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane
PubChem CID11020362
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane
SMILESCC#C/C=C(/C)C#CCOC1CCCCO1
InChIInChI=1S/C14H18O2/c1-3-4-8-13(2)9-7-12-16-14-10-5-6-11-15-14/h8,14H,5-6,10-12H2,1-2H3/b13-8-
InChIKeyUWILOHRSQPPMKM-JYRVWZFOSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane?
The IUPAC name of 2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane (CID 11020362) is 2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane.
What is the SMILES notation for 2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane?
The canonical SMILES for 2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane is CC#C/C=C(/C)C#CCOC1CCCCO1.
What is the InChIKey of 2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane?
The InChIKey is UWILOHRSQPPMKM-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-4-8-13(2)9-7-12-16-14-10-5-6-11-15-14/h8,14H,5-6,10-12H2,1-2H3/b13-8-.
What are the key properties of 2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane?
2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane has a molecular weight of 218.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-methyloct-4-en-2,6-diynoxy]oxane is sourced from PubChem (CID 11020362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).