5-ethyl-3-(methoxymethyl)hepta-2,4-diene

C11H20O — CID 123423064

IUPAC5-ethyl-3-(methoxymethyl)hepta-2,4-diene
SMILESCC=C(C=C(CC)CC)COC
InChIInChI=1S/C11H20O/c1-5-10(6-2)8-11(7-3)9-12-4/h7-8H,5-6,9H2,1-4H3
InChIKeyYNRUQDJBQMCIOW-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.33
Rot. Bonds5

About 5-ethyl-3-(methoxymethyl)hepta-2,4-diene

5-ethyl-3-(methoxymethyl)hepta-2,4-diene (PubChem CID 123423064) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-ethyl-3-(methoxymethyl)hepta-2,4-diene.

Molecular Properties

Compound Name5-ethyl-3-(methoxymethyl)hepta-2,4-diene
PubChem CID123423064
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name5-ethyl-3-(methoxymethyl)hepta-2,4-diene
SMILESCC=C(C=C(CC)CC)COC
InChIInChI=1S/C11H20O/c1-5-10(6-2)8-11(7-3)9-12-4/h7-8H,5-6,9H2,1-4H3
InChIKeyYNRUQDJBQMCIOW-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methoxyethane;(Z)-3-(methoxymethyl)pent-2-enal
CID 156813990
acetaldehyde;1-methoxybutan-2-one
CID 144521469
3-(2-ethylbut-1-enoxymethylidene)pentane
CID 69017814
(2E)-5-ethylhepta-2,4-dien-3-amine
CID 167246205
(3E,5Z)-6-ethyl-4-propylnona-3,5-diene
CID 123964701
(4E)-5-(methoxymethyl)-2,4-dimethylhepta-2,4-diene
CID 143801880
ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine
CID 142040698
(2Z)-3-(methoxymethyl)-5-methylhexa-2,4-dienoic acid
CID 101175528
(Z)-3-ethylpent-3-en-1-ol
CID 21279610
(2E,4Z)-4-ethyl-2-(trifluoromethoxy)hexa-2,4-diene
CID 144630019
2-ethylbut-2-enyl propanoate
CID 90757213
4-[(Z)-2-(methoxymethyl)but-1-enyl]-N-methylaniline
CID 142894520

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(methoxymethyl)hepta-2,4-diene?
The IUPAC name of 5-ethyl-3-(methoxymethyl)hepta-2,4-diene (CID 123423064) is 5-ethyl-3-(methoxymethyl)hepta-2,4-diene.
What is the SMILES notation for 5-ethyl-3-(methoxymethyl)hepta-2,4-diene?
The canonical SMILES for 5-ethyl-3-(methoxymethyl)hepta-2,4-diene is CC=C(C=C(CC)CC)COC.
What is the InChIKey of 5-ethyl-3-(methoxymethyl)hepta-2,4-diene?
The InChIKey is YNRUQDJBQMCIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-10(6-2)8-11(7-3)9-12-4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 5-ethyl-3-(methoxymethyl)hepta-2,4-diene?
5-ethyl-3-(methoxymethyl)hepta-2,4-diene has a molecular weight of 168.28 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(methoxymethyl)hepta-2,4-diene is sourced from PubChem (CID 123423064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).