3-ethyl-2,3-dimethylpenta-1,4-diene

C9H16 — CID 123241142

IUPAC3-ethyl-2,3-dimethylpenta-1,4-diene
SMILESC=CC(C)(CC)C(=C)C
InChIInChI=1S/C9H16/c1-6-9(5,7-2)8(3)4/h6H,1,3,7H2,2,4-5H3
InChIKeyFADMMGSDKQANCD-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.16
Rot. Bonds3

About 3-ethyl-2,3-dimethylpenta-1,4-diene

3-ethyl-2,3-dimethylpenta-1,4-diene (PubChem CID 123241142) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 3-ethyl-2,3-dimethylpenta-1,4-diene.

Molecular Properties

Compound Name3-ethyl-2,3-dimethylpenta-1,4-diene
PubChem CID123241142
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name3-ethyl-2,3-dimethylpenta-1,4-diene
SMILESC=CC(C)(CC)C(=C)C
InChIInChI=1S/C9H16/c1-6-9(5,7-2)8(3)4/h6H,1,3,7H2,2,4-5H3
InChIKeyFADMMGSDKQANCD-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.16
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

2-ethyl-N,2-dimethylbut-3-enamide
CID 126994529
3-ethenyl-2,3-dimethylpenta-1,4-diene
CID 123897882
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683
3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)
CID 174260323
3-ethyl-2,3,4,4-tetramethylpent-1-ene
CID 13031508
2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene
CID 158024808
3-ethyl-4,4-dimethylpent-1-en-3-ol
CID 91529318
3,3-dimethylpent-1-ene;ethane
CID 142059460
3-ethylpenta-1,4-dien-3-ol
CID 131852756
3-ethyl-3,6-dimethylhepta-1,5-diene
CID 54216224
ethyl 2-ethenyl-2,5,5-trimethylhexanoate
CID 102638995
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dimethylpenta-1,4-diene?
The IUPAC name of 3-ethyl-2,3-dimethylpenta-1,4-diene (CID 123241142) is 3-ethyl-2,3-dimethylpenta-1,4-diene.
What is the SMILES notation for 3-ethyl-2,3-dimethylpenta-1,4-diene?
The canonical SMILES for 3-ethyl-2,3-dimethylpenta-1,4-diene is C=CC(C)(CC)C(=C)C.
What is the InChIKey of 3-ethyl-2,3-dimethylpenta-1,4-diene?
The InChIKey is FADMMGSDKQANCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-6-9(5,7-2)8(3)4/h6H,1,3,7H2,2,4-5H3.
What are the key properties of 3-ethyl-2,3-dimethylpenta-1,4-diene?
3-ethyl-2,3-dimethylpenta-1,4-diene has a molecular weight of 124.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dimethylpenta-1,4-diene is sourced from PubChem (CID 123241142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).