6-octan-2-yloxyhexan-2-one

C14H28O2 — CID 43793687

IUPAC6-octan-2-yloxyhexan-2-one
SMILESCCCCCCC(C)OCCCCC(C)=O
InChIInChI=1S/C14H28O2/c1-4-5-6-7-11-14(3)16-12-9-8-10-13(2)15/h14H,4-12H2,1-3H3
InChIKeyLPUGDCDJVJCJTG-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.12
Rot. Bonds11

About 6-octan-2-yloxyhexan-2-one

6-octan-2-yloxyhexan-2-one (PubChem CID 43793687) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 6-octan-2-yloxyhexan-2-one.

Molecular Properties

Compound Name6-octan-2-yloxyhexan-2-one
PubChem CID43793687
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name6-octan-2-yloxyhexan-2-one
SMILESCCCCCCC(C)OCCCCC(C)=O
InChIInChI=1S/C14H28O2/c1-4-5-6-7-11-14(3)16-12-9-8-10-13(2)15/h14H,4-12H2,1-3H3
InChIKeyLPUGDCDJVJCJTG-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
17-ethoxyoctadecan-2-one
CID 87111169
1-hexan-2-yloxydecane
CID 57029724
4-heptoxypentan-2-one
CID 64698347
17-methylpentacosan-2-one
CID 57068605
4-pentoxypentan-2-one
CID 64698356
7-hexoxyheptan-2-one
CID 122428493
nonatriacontan-2-one
CID 141365496
octadecakis(hexane);nonan-2-one
CID 173226284

Frequently Asked Questions

What is the IUPAC name of 6-octan-2-yloxyhexan-2-one?
The IUPAC name of 6-octan-2-yloxyhexan-2-one (CID 43793687) is 6-octan-2-yloxyhexan-2-one.
What is the SMILES notation for 6-octan-2-yloxyhexan-2-one?
The canonical SMILES for 6-octan-2-yloxyhexan-2-one is CCCCCCC(C)OCCCCC(C)=O.
What is the InChIKey of 6-octan-2-yloxyhexan-2-one?
The InChIKey is LPUGDCDJVJCJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-5-6-7-11-14(3)16-12-9-8-10-13(2)15/h14H,4-12H2,1-3H3.
What are the key properties of 6-octan-2-yloxyhexan-2-one?
6-octan-2-yloxyhexan-2-one has a molecular weight of 228.38 g/mol, XLogP of 4.12, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octan-2-yloxyhexan-2-one is sourced from PubChem (CID 43793687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).