6-methoxyhept-1-en-3-one

C8H14O2 — CID 58441310

IUPAC6-methoxyhept-1-en-3-one
SMILESC=CC(=O)CCC(C)OC
InChIInChI=1S/C8H14O2/c1-4-8(9)6-5-7(2)10-3/h4,7H,1,5-6H2,2-3H3
InChIKeyYXNOUBDNLVZOBB-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.56
Rot. Bonds5

About 6-methoxyhept-1-en-3-one

6-methoxyhept-1-en-3-one (PubChem CID 58441310) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 6-methoxyhept-1-en-3-one.

Molecular Properties

Compound Name6-methoxyhept-1-en-3-one
PubChem CID58441310
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name6-methoxyhept-1-en-3-one
SMILESC=CC(=O)CCC(C)OC
InChIInChI=1S/C8H14O2/c1-4-8(9)6-5-7(2)10-3/h4,7H,1,5-6H2,2-3H3
InChIKeyYXNOUBDNLVZOBB-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Ethoxyhex-1-en-3-one
CID 20675034
(E)-1-methoxyhept-1-en-3-one
CID 9989357
5-Oxohept-6-en-2-yl prop-2-enoate
CID 23534043
6-Propoxyhex-1-en-3-one
CID 57272050
6-(4-Oxohex-5-enoxy)hex-1-en-3-one
CID 57316280
6-Propan-2-yloxyhex-1-en-3-one
CID 58298916
6-(3-Methoxypropoxy)hex-1-en-3-one
CID 58846844
6-Methoxyhex-1-en-3-one
CID 59702772
7-Methoxyhept-1-en-4-one
CID 65094654
6-Propoxyhept-1-en-3-one;hydrate
CID 88846119
2-methyl-3,4-dihydro-2H-oxepin-5-one
CID 117864914
7-Methoxyhept-1-en-3-one
CID 124006211

Frequently Asked Questions

What is the IUPAC name of 6-methoxyhept-1-en-3-one?
The IUPAC name of 6-methoxyhept-1-en-3-one (CID 58441310) is 6-methoxyhept-1-en-3-one.
What is the SMILES notation for 6-methoxyhept-1-en-3-one?
The canonical SMILES for 6-methoxyhept-1-en-3-one is C=CC(=O)CCC(C)OC.
What is the InChIKey of 6-methoxyhept-1-en-3-one?
The InChIKey is YXNOUBDNLVZOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-8(9)6-5-7(2)10-3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 6-methoxyhept-1-en-3-one?
6-methoxyhept-1-en-3-one has a molecular weight of 142.20 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyhept-1-en-3-one is sourced from PubChem (CID 58441310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).