5-ethyl-3,6-dimethylhepta-1,4-diene

C11H20 — CID 123520115

IUPAC5-ethyl-3,6-dimethylhepta-1,4-diene
SMILESC=CC(C)C=C(CC)C(C)C
InChIInChI=1S/C11H20/c1-6-10(5)8-11(7-2)9(3)4/h6,8-10H,1,7H2,2-5H3
InChIKeyJVHOSQIYMBCNMC-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.80
Rot. Bonds4

About 5-ethyl-3,6-dimethylhepta-1,4-diene

5-ethyl-3,6-dimethylhepta-1,4-diene (PubChem CID 123520115) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 5-ethyl-3,6-dimethylhepta-1,4-diene.

Molecular Properties

Compound Name5-ethyl-3,6-dimethylhepta-1,4-diene
PubChem CID123520115
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name5-ethyl-3,6-dimethylhepta-1,4-diene
SMILESC=CC(C)C=C(CC)C(C)C
InChIInChI=1S/C11H20/c1-6-10(5)8-11(7-2)9(3)4/h6,8-10H,1,7H2,2-5H3
InChIKeyJVHOSQIYMBCNMC-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
tert-butyl-dimethyl-[(3E)-5-methylhepta-3,6-dien-3-yl]oxysilane
CID 10879267
ethane;3-methylpenta-1,4-diene
CID 144868161
(1E,4E)-4-propan-2-ylhepta-1,4,6-trien-1-ol
CID 170052776
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
4-ethenyl-3,5-dimethylheptane
CID 90755259
(E)-3-ethyl-4-methylpent-2-en-2-ol
CID 173103704
3,4,5-trimethylhepta-1,4-diene
CID 91009092
3-methylocta-1,4-diene
CID 123442447
7-methyl-3,6-dimethylideneoct-1-ene
CID 102247656
ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene
CID 178040036

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,6-dimethylhepta-1,4-diene?
The IUPAC name of 5-ethyl-3,6-dimethylhepta-1,4-diene (CID 123520115) is 5-ethyl-3,6-dimethylhepta-1,4-diene.
What is the SMILES notation for 5-ethyl-3,6-dimethylhepta-1,4-diene?
The canonical SMILES for 5-ethyl-3,6-dimethylhepta-1,4-diene is C=CC(C)C=C(CC)C(C)C.
What is the InChIKey of 5-ethyl-3,6-dimethylhepta-1,4-diene?
The InChIKey is JVHOSQIYMBCNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-6-10(5)8-11(7-2)9(3)4/h6,8-10H,1,7H2,2-5H3.
What are the key properties of 5-ethyl-3,6-dimethylhepta-1,4-diene?
5-ethyl-3,6-dimethylhepta-1,4-diene has a molecular weight of 152.28 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,6-dimethylhepta-1,4-diene is sourced from PubChem (CID 123520115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).