1-(3-methylbut-2-en-2-yloxy)nonane

C14H28O — CID 151365859

IUPAC1-(3-methylbut-2-en-2-yloxy)nonane
SMILESCCCCCCCCCOC(C)=C(C)C
InChIInChI=1S/C14H28O/c1-5-6-7-8-9-10-11-12-15-14(4)13(2)3/h5-12H2,1-4H3
InChIKeyOPKLOLAXEDXBNT-UHFFFAOYSA-N
MW212.38 g/mol
LogP5.07
Rot. Bonds9

About 1-(3-methylbut-2-en-2-yloxy)nonane

1-(3-methylbut-2-en-2-yloxy)nonane (PubChem CID 151365859) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(3-methylbut-2-en-2-yloxy)nonane.

Molecular Properties

Compound Name1-(3-methylbut-2-en-2-yloxy)nonane
PubChem CID151365859
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-(3-methylbut-2-en-2-yloxy)nonane
SMILESCCCCCCCCCOC(C)=C(C)C
InChIInChI=1S/C14H28O/c1-5-6-7-8-9-10-11-12-15-14(4)13(2)3/h5-12H2,1-4H3
InChIKeyOPKLOLAXEDXBNT-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.38
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methylprop-1-enoxy)octane
CID 10679068
1-(3-Methylbut-2-en-2-yloxy)octane
CID 20647696
1-(2-Methylprop-1-enoxy)nonane
CID 22234813
1-(2-Methylprop-1-enoxy)decane
CID 22234820
1-(3-Methylbut-2-en-2-yloxy)pentane
CID 58862763
1-Ethoxy-2-ethylcyclohexene
CID 67854626
1-Methyl-2-octoxycyclohexene
CID 70525122
4-(3-Methylbut-2-en-2-yloxy)heptane
CID 123198538
1-But-2-en-2-yloxydecane
CID 139974507
1-But-2-en-2-yloxyundecane
CID 139974512
1-But-2-en-2-yloxyoctane
CID 139974518
1-But-2-en-2-yloxynonane
CID 139974521

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-en-2-yloxy)nonane?
The IUPAC name of 1-(3-methylbut-2-en-2-yloxy)nonane (CID 151365859) is 1-(3-methylbut-2-en-2-yloxy)nonane.
What is the SMILES notation for 1-(3-methylbut-2-en-2-yloxy)nonane?
The canonical SMILES for 1-(3-methylbut-2-en-2-yloxy)nonane is CCCCCCCCCOC(C)=C(C)C.
What is the InChIKey of 1-(3-methylbut-2-en-2-yloxy)nonane?
The InChIKey is OPKLOLAXEDXBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-5-6-7-8-9-10-11-12-15-14(4)13(2)3/h5-12H2,1-4H3.
What are the key properties of 1-(3-methylbut-2-en-2-yloxy)nonane?
1-(3-methylbut-2-en-2-yloxy)nonane has a molecular weight of 212.38 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-en-2-yloxy)nonane is sourced from PubChem (CID 151365859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).