3-ethylpenta-1,2-diene

C7H12 — CID 14147089

IUPAC3-ethylpenta-1,2-diene
SMILESC=C=C(CC)CC
InChIInChI=1S/C7H12/c1-4-7(5-2)6-3/h1,5-6H2,2-3H3
InChIKeyLQAOINCGMDEPDQ-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.52
Rot. Bonds2

About 3-ethylpenta-1,2-diene

3-ethylpenta-1,2-diene (PubChem CID 14147089) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 3-ethylpenta-1,2-diene.

Molecular Properties

Compound Name3-ethylpenta-1,2-diene
PubChem CID14147089
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name3-ethylpenta-1,2-diene
SMILESC=C=C(CC)CC
InChIInChI=1S/C7H12/c1-4-7(5-2)6-3/h1,5-6H2,2-3H3
InChIKeyLQAOINCGMDEPDQ-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Methyl-1-butene
CID 11240
2-Methyl-1-pentene
CID 12986
2-Methyl-1-hexene
CID 22468
2-Ethyl-1-butene
CID 12970
3-Methyl-1,2-pentadiene
CID 81912
2,4-Dimethyl-1,4-pentadiene
CID 138137
3-Methylidenehexane
CID 520668
2-Methyl-2,3-hexadiene
CID 535092
1,3-Butadiene, 2-ethyl-3-methyl-
CID 139692
4-Methylhexa-2,3-diene
CID 14943708
3-Methylhepta-1,2-diene
CID 10249843
3-Methylhexa-1,2-diene
CID 14143298

Frequently Asked Questions

What is the IUPAC name of 3-ethylpenta-1,2-diene?
The IUPAC name of 3-ethylpenta-1,2-diene (CID 14147089) is 3-ethylpenta-1,2-diene.
What is the SMILES notation for 3-ethylpenta-1,2-diene?
The canonical SMILES for 3-ethylpenta-1,2-diene is C=C=C(CC)CC.
What is the InChIKey of 3-ethylpenta-1,2-diene?
The InChIKey is LQAOINCGMDEPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-4-7(5-2)6-3/h1,5-6H2,2-3H3.
What are the key properties of 3-ethylpenta-1,2-diene?
3-ethylpenta-1,2-diene has a molecular weight of 96.17 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpenta-1,2-diene is sourced from PubChem (CID 14147089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).