(Z)-5-methoxy-2,6-dimethylhept-4-en-3-one

C10H18O2 — CID 118319171

IUPAC(Z)-5-methoxy-2,6-dimethylhept-4-en-3-one
SMILESCO/C(=C\C(=O)C(C)C)C(C)C
InChIInChI=1S/C10H18O2/c1-7(2)9(11)6-10(12-5)8(3)4/h6-8H,1-5H3/b10-6-
InChIKeyHZOOTHIARSKLBH-POHAHGRESA-N
MW170.25 g/mol
LogP2.40
Rot. Bonds4

About (Z)-5-methoxy-2,6-dimethylhept-4-en-3-one

(Z)-5-methoxy-2,6-dimethylhept-4-en-3-one (PubChem CID 118319171) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (Z)-5-methoxy-2,6-dimethylhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-methoxy-2,6-dimethylhept-4-en-3-one
PubChem CID118319171
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(Z)-5-methoxy-2,6-dimethylhept-4-en-3-one
SMILESCO/C(=C\C(=O)C(C)C)C(C)C
InChIInChI=1S/C10H18O2/c1-7(2)9(11)6-10(12-5)8(3)4/h6-8H,1-5H3/b10-6-
InChIKeyHZOOTHIARSKLBH-POHAHGRESA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,5,6-Trimethyl-4-hepten-3-one
CID 573828
4-Hepten-3-one, 2,5,6-trimethyl-
CID 5370236
2,6-diisopropyl-4H-pyran-4-one
CID 85911491
(3Z)-7-(1-fluoroethylidene)-3-(1-methoxypropylidene)-6,10-dimethylundeca-4,8,10-trien-2-one
CID 91244645
(Z)-7,7,7-trifluoro-5-methoxy-2,6,6-trimethylhept-4-en-3-one
CID 156216072
(Z)-6-fluoro-5-methoxy-2,2,6-trimethylhept-4-en-3-one
CID 166646206
(Z)-3-ethyl-7-fluoro-6-methoxy-7-methyloct-5-en-4-one
CID 166646207
(Z)-2,6-difluoro-5-methoxy-2,6-dimethylhept-4-en-3-one
CID 166896814
(Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one
CID 166990831
(Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one
CID 167023399
4-Hepten-3-one, 5-hydroxy-2,6-dimethyl-
CID 5378288
ethane;(Z)-4-methoxypent-3-en-2-one
CID 144301041

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methoxy-2,6-dimethylhept-4-en-3-one?
The IUPAC name of (Z)-5-methoxy-2,6-dimethylhept-4-en-3-one (CID 118319171) is (Z)-5-methoxy-2,6-dimethylhept-4-en-3-one.
What is the SMILES notation for (Z)-5-methoxy-2,6-dimethylhept-4-en-3-one?
The canonical SMILES for (Z)-5-methoxy-2,6-dimethylhept-4-en-3-one is CO/C(=C\C(=O)C(C)C)C(C)C.
What is the InChIKey of (Z)-5-methoxy-2,6-dimethylhept-4-en-3-one?
The InChIKey is HZOOTHIARSKLBH-POHAHGRESA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)9(11)6-10(12-5)8(3)4/h6-8H,1-5H3/b10-6-.
What are the key properties of (Z)-5-methoxy-2,6-dimethylhept-4-en-3-one?
(Z)-5-methoxy-2,6-dimethylhept-4-en-3-one has a molecular weight of 170.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methoxy-2,6-dimethylhept-4-en-3-one is sourced from PubChem (CID 118319171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).