7-methoxy-7-methyloct-1-en-4-one

C10H18O2 — CID 103035423

IUPAC7-methoxy-7-methyloct-1-en-4-one
SMILESC=CCC(=O)CCC(C)(C)OC
InChIInChI=1S/C10H18O2/c1-5-6-9(11)7-8-10(2,3)12-4/h5H,1,6-8H2,2-4H3
InChIKeyFYPDTCUYXCGSHC-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.34
Rot. Bonds6

About 7-methoxy-7-methyloct-1-en-4-one

7-methoxy-7-methyloct-1-en-4-one (PubChem CID 103035423) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 7-methoxy-7-methyloct-1-en-4-one.

Molecular Properties

Compound Name7-methoxy-7-methyloct-1-en-4-one
PubChem CID103035423
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name7-methoxy-7-methyloct-1-en-4-one
SMILESC=CCC(=O)CCC(C)(C)OC
InChIInChI=1S/C10H18O2/c1-5-6-9(11)7-8-10(2,3)12-4/h5H,1,6-8H2,2-4H3
InChIKeyFYPDTCUYXCGSHC-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-methoxy-7-methyloct-1-en-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Allyl-2-methoxy-2,6-dimethyl-3,5-heptanedione
CID 5337883
(E)-10-methoxy-6,10-dimethylundec-5-en-2-one
CID 88821326
10-Methoxy-6,10-dimethyl-5-undecene-2-one
CID 53966525
4-(Methoxymethyl)hept-6-en-2-one
CID 59855038
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxy]oct-7-en-3-one
CID 157052916
(2,6-Dimethyl-5-oxooct-7-en-2-yl) acetate
CID 11820496
2-Methoxy-2-methyloct-7-en-3-one
CID 79198204
2-Methoxy-2-methyl-5-methylideneheptan-3-one
CID 79202716
6-Methoxy-6-methylhept-1-en-4-one
CID 103023085
2-Methoxy-2-methylnon-8-en-4-one
CID 103023269
2-Methoxy-2-methyloct-7-en-4-one
CID 103023270
6-Methoxy-2,6-dimethylhept-1-en-4-one
CID 103023336

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-7-methyloct-1-en-4-one?
The IUPAC name of 7-methoxy-7-methyloct-1-en-4-one (CID 103035423) is 7-methoxy-7-methyloct-1-en-4-one.
What is the SMILES notation for 7-methoxy-7-methyloct-1-en-4-one?
The canonical SMILES for 7-methoxy-7-methyloct-1-en-4-one is C=CCC(=O)CCC(C)(C)OC.
What is the InChIKey of 7-methoxy-7-methyloct-1-en-4-one?
The InChIKey is FYPDTCUYXCGSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-6-9(11)7-8-10(2,3)12-4/h5H,1,6-8H2,2-4H3.
What are the key properties of 7-methoxy-7-methyloct-1-en-4-one?
7-methoxy-7-methyloct-1-en-4-one has a molecular weight of 170.25 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-7-methyloct-1-en-4-one is sourced from PubChem (CID 103035423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).