(2E,5E)-hepta-2,5-diene

C7H12 — CID 5367527

IUPAC(2E,5E)-hepta-2,5-diene
SMILESC/C=C/C/C=C/C
InChIInChI=1S/C7H12/c1-3-5-7-6-4-2/h3-6H,7H2,1-2H3/b5-3+,6-4+
InChIKeyJAGYXYUAYDLKNO-GGWOSOGESA-N
MW96.17 g/mol
LogP2.53
Rot. Bonds2

About (2E,5E)-hepta-2,5-diene

(2E,5E)-hepta-2,5-diene (PubChem CID 5367527) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is (2E,5E)-hepta-2,5-diene.

Molecular Properties

Compound Name(2E,5E)-hepta-2,5-diene
PubChem CID5367527
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name(2E,5E)-hepta-2,5-diene
SMILESC/C=C/C/C=C/C
InChIInChI=1S/C7H12/c1-3-5-7-6-4-2/h3-6H,7H2,1-2H3/b5-3+,6-4+
InChIKeyJAGYXYUAYDLKNO-GGWOSOGESA-N
XLogP2.53
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 ≤ 52.53
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

1-Butene
CID 7844
cis-2-PENTENE
CID 5326160
trans-2-Pentene
CID 5326161
4-Methyl-2-pentene, (2Z)-
CID 5326159
1,4-Hexadiene
CID 11599
3-Heptene
CID 11612
Hex-2-ene
CID 19966
Pent-2-ene
CID 12585
Pentylene
CID 32932
1-Pentene 2-pentene
CID 19097016
Hexene
CID 639661
2-Heptene
CID 11611

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-hepta-2,5-diene?
The IUPAC name of (2E,5E)-hepta-2,5-diene (CID 5367527) is (2E,5E)-hepta-2,5-diene.
What is the SMILES notation for (2E,5E)-hepta-2,5-diene?
The canonical SMILES for (2E,5E)-hepta-2,5-diene is C/C=C/C/C=C/C.
What is the InChIKey of (2E,5E)-hepta-2,5-diene?
The InChIKey is JAGYXYUAYDLKNO-GGWOSOGESA-N. The full InChI is InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-6H,7H2,1-2H3/b5-3+,6-4+.
What are the key properties of (2E,5E)-hepta-2,5-diene?
(2E,5E)-hepta-2,5-diene has a molecular weight of 96.17 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-hepta-2,5-diene is sourced from PubChem (CID 5367527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).