(E)-7-methoxy-7-methyloct-2-en-4-one

C10H18O2 — CID 103453261

IUPAC(E)-7-methoxy-7-methyloct-2-en-4-one
SMILESC/C=C/C(=O)CCC(C)(C)OC
InChIInChI=1S/C10H18O2/c1-5-6-9(11)7-8-10(2,3)12-4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKeyQAHUYFXFZXSNHY-AATRIKPKSA-N
MW170.25 g/mol
LogP2.34
Rot. Bonds5

About (E)-7-methoxy-7-methyloct-2-en-4-one

(E)-7-methoxy-7-methyloct-2-en-4-one (PubChem CID 103453261) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-7-methoxy-7-methyloct-2-en-4-one.

Molecular Properties

Compound Name(E)-7-methoxy-7-methyloct-2-en-4-one
PubChem CID103453261
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-7-methoxy-7-methyloct-2-en-4-one
SMILESC/C=C/C(=O)CCC(C)(C)OC
InChIInChI=1S/C10H18O2/c1-5-6-9(11)7-8-10(2,3)12-4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKeyQAHUYFXFZXSNHY-AATRIKPKSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-methoxy-4-methylcyclohex-2-en-1-one
CID 134968953
8-Methoxy-5,5,8-trimethyl-3-nonen-2-one
CID 5366349
(Z)-8-methoxy-5,5,8-trimethylnon-3-en-2-one
CID 21632303
(6E,10Z,12E,14E)-2-hydroxy-2-methylhexadeca-6,10,12,14-tetraen-5-one
CID 58282919
(6E,10Z)-2-hydroxy-2-methylhexadeca-6,10-dien-5-one
CID 58282920
(6E,11E,13E,15E)-2-hydroxy-2-methylheptadeca-6,11,13,15-tetraen-5-one
CID 89096192
(4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one
CID 138504036
5-Methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one
CID 138504038
(6E,10E,12E,14E)-2-hydroxy-2-methylhexadeca-6,10,12,14-tetraen-5-one
CID 158990108
(6E,8E,12Z,14E,16E)-2-hydroxy-2-methyloctadeca-6,8,12,14,16-pentaen-5-one
CID 167558138
4-Methoxy-4-(3-oxobutyl)cyclohexa-2,5-dien-1-one
CID 51354079
7-Ethoxyoct-2-en-4-one
CID 59700339

Frequently Asked Questions

What is the IUPAC name of (E)-7-methoxy-7-methyloct-2-en-4-one?
The IUPAC name of (E)-7-methoxy-7-methyloct-2-en-4-one (CID 103453261) is (E)-7-methoxy-7-methyloct-2-en-4-one.
What is the SMILES notation for (E)-7-methoxy-7-methyloct-2-en-4-one?
The canonical SMILES for (E)-7-methoxy-7-methyloct-2-en-4-one is C/C=C/C(=O)CCC(C)(C)OC.
What is the InChIKey of (E)-7-methoxy-7-methyloct-2-en-4-one?
The InChIKey is QAHUYFXFZXSNHY-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-6-9(11)7-8-10(2,3)12-4/h5-6H,7-8H2,1-4H3/b6-5+.
What are the key properties of (E)-7-methoxy-7-methyloct-2-en-4-one?
(E)-7-methoxy-7-methyloct-2-en-4-one has a molecular weight of 170.25 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methoxy-7-methyloct-2-en-4-one is sourced from PubChem (CID 103453261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).