(E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene

C11H20O — CID 171536377

IUPAC(E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene
SMILESCC/C=C/C(=C\OC)C(C)(C)C
InChIInChI=1S/C11H20O/c1-6-7-8-10(9-12-5)11(2,3)4/h7-9H,6H2,1-5H3/b8-7+,10-9+
InChIKeyZGGWQKRQPSIURG-XBLVEGMJSA-N
MW168.28 g/mol
LogP3.53
Rot. Bonds3

About (E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene

(E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene (PubChem CID 171536377) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene.

Molecular Properties

Compound Name(E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene
PubChem CID171536377
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene
SMILESCC/C=C/C(=C\OC)C(C)(C)C
InChIInChI=1S/C11H20O/c1-6-7-8-10(9-12-5)11(2,3)4/h7-9H,6H2,1-5H3/b8-7+,10-9+
InChIKeyZGGWQKRQPSIURG-XBLVEGMJSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene
CID 15517012
3,3-Dimethylanisol
CID 68229763
(1E)-1-butoxy-4-ethylhexa-1,3-diene
CID 10631304
(1E,3E)-1-methoxy-4,8-dimethylnona-1,3,7-triene
CID 13215975
(1-Methyl-benzyl)-vinyl-ether
CID 129714215
6,6-dimethyl-7,9a-dihydro-1H-cyclohepta[c]pyran
CID 134942692
(5E)-6-ethoxy-4,4-dimethyldeca-1,5,9-triene
CID 135043198
(E)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methanolate
CID 138968820
(3E,6Z)-7-methoxy-5,5-dimethylhepta-1,3,6-triene
CID 10920704
1-Ethoxy-3,5,5-trimethylcyclohexa-1,3-diene
CID 21565213
(1E,3E)-1-[(1E,3E)-hepta-1,3-dienoxy]hepta-1,3-diene
CID 23352975
4-tert-butyl-2H-pyran
CID 23591970

Frequently Asked Questions

What is the IUPAC name of (E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene?
The IUPAC name of (E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene (CID 171536377) is (E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene.
What is the SMILES notation for (E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene?
The canonical SMILES for (E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene is CC/C=C/C(=C\OC)C(C)(C)C.
What is the InChIKey of (E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene?
The InChIKey is ZGGWQKRQPSIURG-XBLVEGMJSA-N. The full InChI is InChI=1S/C11H20O/c1-6-7-8-10(9-12-5)11(2,3)4/h7-9H,6H2,1-5H3/b8-7+,10-9+.
What are the key properties of (E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene?
(E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene has a molecular weight of 168.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene is sourced from PubChem (CID 171536377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).