1-(3-methylpentoxy)hex-1-ene

C12H24O — CID 173340356

IUPAC1-(3-methylpentoxy)hex-1-ene
SMILESCCCCC=COCCC(C)CC
InChIInChI=1S/C12H24O/c1-4-6-7-8-10-13-11-9-12(3)5-2/h8,10,12H,4-7,9,11H2,1-3H3
InChIKeyHIIHYGOOZUONDB-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.14
Rot. Bonds8

About 1-(3-methylpentoxy)hex-1-ene

1-(3-methylpentoxy)hex-1-ene (PubChem CID 173340356) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-(3-methylpentoxy)hex-1-ene.

Molecular Properties

Compound Name1-(3-methylpentoxy)hex-1-ene
PubChem CID173340356
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-(3-methylpentoxy)hex-1-ene
SMILESCCCCC=COCCC(C)CC
InChIInChI=1S/C12H24O/c1-4-6-7-8-10-13-11-9-12(3)5-2/h8,10,12H,4-7,9,11H2,1-3H3
InChIKeyHIIHYGOOZUONDB-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpentoxy)hex-1-ene?
The IUPAC name of 1-(3-methylpentoxy)hex-1-ene (CID 173340356) is 1-(3-methylpentoxy)hex-1-ene.
What is the SMILES notation for 1-(3-methylpentoxy)hex-1-ene?
The canonical SMILES for 1-(3-methylpentoxy)hex-1-ene is CCCCC=COCCC(C)CC.
What is the InChIKey of 1-(3-methylpentoxy)hex-1-ene?
The InChIKey is HIIHYGOOZUONDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-6-7-8-10-13-11-9-12(3)5-2/h8,10,12H,4-7,9,11H2,1-3H3.
What are the key properties of 1-(3-methylpentoxy)hex-1-ene?
1-(3-methylpentoxy)hex-1-ene has a molecular weight of 184.32 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpentoxy)hex-1-ene is sourced from PubChem (CID 173340356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).