1-(5-methylhex-2-enoxy)propan-2-one

C10H18O2 — CID 91505275

IUPAC1-(5-methylhex-2-enoxy)propan-2-one
SMILESCC(=O)COCC=CCC(C)C
InChIInChI=1S/C10H18O2/c1-9(2)6-4-5-7-12-8-10(3)11/h4-5,9H,6-8H2,1-3H3
InChIKeyAFAVVPZHWRWXOL-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.19
Rot. Bonds6

About 1-(5-methylhex-2-enoxy)propan-2-one

1-(5-methylhex-2-enoxy)propan-2-one (PubChem CID 91505275) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(5-methylhex-2-enoxy)propan-2-one.

Molecular Properties

Compound Name1-(5-methylhex-2-enoxy)propan-2-one
PubChem CID91505275
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(5-methylhex-2-enoxy)propan-2-one
SMILESCC(=O)COCC=CCC(C)C
InChIInChI=1S/C10H18O2/c1-9(2)6-4-5-7-12-8-10(3)11/h4-5,9H,6-8H2,1-3H3
InChIKeyAFAVVPZHWRWXOL-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-hex-2-enoxy]butan-2-one
CID 15256146
propan-2-yl 2-[(E)-2-methylhex-4-en-3-yl]oxyacetate
CID 13673785
propan-2-yl 2-[(E,3R)-2-methylhex-4-en-3-yl]oxyacetate
CID 134880617
1-[(E)-3-methylhex-2-enoxy]butan-2-one
CID 134896029
5-Acetyl-5-methylfuran
CID 162640210
(E)-3-methyl-7-propoxyhept-5-en-2-one
CID 20736863
CID 59117766
CID 59117766
1-(1,4,6-Trimethylcyclohexa-2,4-dien-1-yl)oxypropan-2-one
CID 68173482
1-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-2-one
CID 87857724
1-(7-Methoxy-2,4,7,9-tetramethyldec-5-en-4-yl)oxypropan-2-one
CID 89060192
3-Pent-3-en-2-yloxybutan-2-one
CID 90741948
1-Hex-2-enoxypropan-2-one
CID 90766135

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhex-2-enoxy)propan-2-one?
The IUPAC name of 1-(5-methylhex-2-enoxy)propan-2-one (CID 91505275) is 1-(5-methylhex-2-enoxy)propan-2-one.
What is the SMILES notation for 1-(5-methylhex-2-enoxy)propan-2-one?
The canonical SMILES for 1-(5-methylhex-2-enoxy)propan-2-one is CC(=O)COCC=CCC(C)C.
What is the InChIKey of 1-(5-methylhex-2-enoxy)propan-2-one?
The InChIKey is AFAVVPZHWRWXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)6-4-5-7-12-8-10(3)11/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 1-(5-methylhex-2-enoxy)propan-2-one?
1-(5-methylhex-2-enoxy)propan-2-one has a molecular weight of 170.25 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhex-2-enoxy)propan-2-one is sourced from PubChem (CID 91505275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).