2-propan-2-yloxyundec-1-ene

C14H28O — CID 10878492

IUPAC2-propan-2-yloxyundec-1-ene
SMILESC=C(CCCCCCCCC)OC(C)C
InChIInChI=1S/C14H28O/c1-5-6-7-8-9-10-11-12-14(4)15-13(2)3/h13H,4-12H2,1-3H3
InChIKeyPAZLKHJKDLGUTL-UHFFFAOYSA-N
MW212.38 g/mol
LogP5.07
Rot. Bonds10

About 2-propan-2-yloxyundec-1-ene

2-propan-2-yloxyundec-1-ene (PubChem CID 10878492) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-propan-2-yloxyundec-1-ene.

Molecular Properties

Compound Name2-propan-2-yloxyundec-1-ene
PubChem CID10878492
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2-propan-2-yloxyundec-1-ene
SMILESC=C(CCCCCCCCC)OC(C)C
InChIInChI=1S/C14H28O/c1-5-6-7-8-9-10-11-12-14(4)15-13(2)3/h13H,4-12H2,1-3H3
InChIKeyPAZLKHJKDLGUTL-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
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

2H-Pyran, 2-butyltetrahydro-6-methyl-4-methylene-
CID 91149
1-Hexylvinyl methyl ether
CID 551732
Pentyl-3,4-dihydro-2h-pyran
CID 11321071
4-Methoxy dec-1-ene
CID 11829889
2-Heptyl-2,3-dihydrofuran
CID 14091327
1-Undecene, 4-methoxy-
CID 10261807
4-Methoxy-1-dodecene
CID 10420283
2-Propyl-4-methylenetetrahydropyran
CID 12283592
2-Ethoxynon-1-ene
CID 12385679
2-Butyl-4-methylenetetrahydropyran
CID 13516143
2-Hexyl-2,3-dihydrofuran
CID 13538413
(1E)-1-ethoxy-cyclododecene
CID 13540263

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyundec-1-ene?
The IUPAC name of 2-propan-2-yloxyundec-1-ene (CID 10878492) is 2-propan-2-yloxyundec-1-ene.
What is the SMILES notation for 2-propan-2-yloxyundec-1-ene?
The canonical SMILES for 2-propan-2-yloxyundec-1-ene is C=C(CCCCCCCCC)OC(C)C.
What is the InChIKey of 2-propan-2-yloxyundec-1-ene?
The InChIKey is PAZLKHJKDLGUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-5-6-7-8-9-10-11-12-14(4)15-13(2)3/h13H,4-12H2,1-3H3.
What are the key properties of 2-propan-2-yloxyundec-1-ene?
2-propan-2-yloxyundec-1-ene has a molecular weight of 212.38 g/mol, XLogP of 5.07, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyundec-1-ene is sourced from PubChem (CID 10878492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).