6-propan-2-yloxyhex-1-en-3-one

C9H16O2 — CID 58298916

IUPAC6-propan-2-yloxyhex-1-en-3-one
SMILESC=CC(=O)CCCOC(C)C
InChIInChI=1S/C9H16O2/c1-4-9(10)6-5-7-11-8(2)3/h4,8H,1,5-7H2,2-3H3
InChIKeyUBHKXBKCEIYHGN-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.95
Rot. Bonds6

About 6-propan-2-yloxyhex-1-en-3-one

6-propan-2-yloxyhex-1-en-3-one (PubChem CID 58298916) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 6-propan-2-yloxyhex-1-en-3-one.

Molecular Properties

Compound Name6-propan-2-yloxyhex-1-en-3-one
PubChem CID58298916
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name6-propan-2-yloxyhex-1-en-3-one
SMILESC=CC(=O)CCCOC(C)C
InChIInChI=1S/C9H16O2/c1-4-9(10)6-5-7-11-8(2)3/h4,8H,1,5-7H2,2-3H3
InChIKeyUBHKXBKCEIYHGN-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Oxohex-5-enyl acetate
CID 139588464
6-Ethoxyhex-1-en-3-one
CID 20675034
4-Oxohex-5-enyl butanoate
CID 20675033
6-[2-(4-Oxohex-5-enoxy)ethoxy]hex-1-en-3-one
CID 23591517
6-Propoxyhex-1-en-3-one
CID 57272050
6-(4-Oxohex-5-enoxy)hex-1-en-3-one
CID 57316280
4-Oxohex-5-enyl 2-methylpropanoate
CID 58298943
6-Methoxyhept-1-en-3-one
CID 58441310
6-(3-Methoxypropoxy)hex-1-en-3-one
CID 58846844
6-Methoxyhex-1-en-3-one
CID 59702772
5-But-3-enoxypentan-2-one
CID 62031380
Butyl 4-oxohex-5-enoate
CID 87865945

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxyhex-1-en-3-one?
The IUPAC name of 6-propan-2-yloxyhex-1-en-3-one (CID 58298916) is 6-propan-2-yloxyhex-1-en-3-one.
What is the SMILES notation for 6-propan-2-yloxyhex-1-en-3-one?
The canonical SMILES for 6-propan-2-yloxyhex-1-en-3-one is C=CC(=O)CCCOC(C)C.
What is the InChIKey of 6-propan-2-yloxyhex-1-en-3-one?
The InChIKey is UBHKXBKCEIYHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(10)6-5-7-11-8(2)3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 6-propan-2-yloxyhex-1-en-3-one?
6-propan-2-yloxyhex-1-en-3-one has a molecular weight of 156.22 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxyhex-1-en-3-one is sourced from PubChem (CID 58298916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).