ethane;(2Z,5Z)-hepta-2,5-diene

C9H18 — CID 142853970

IUPACethane;(2Z,5Z)-hepta-2,5-diene
SMILESC/C=C\C/C=C\C.CC
InChIInChI=1S/C7H12.C2H6/c1-3-5-7-6-4-2;1-2/h3-6H,7H2,1-2H3;1-2H3/b5-3-,6-4-;
InChIKeyHTLRJDYAOQJUAY-VIOUERSGSA-N
MW126.24 g/mol
LogP3.55
Rot. Bonds2

About ethane;(2Z,5Z)-hepta-2,5-diene

ethane;(2Z,5Z)-hepta-2,5-diene (PubChem CID 142853970) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is ethane;(2Z,5Z)-hepta-2,5-diene.

Molecular Properties

Compound Nameethane;(2Z,5Z)-hepta-2,5-diene
PubChem CID142853970
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Nameethane;(2Z,5Z)-hepta-2,5-diene
SMILESC/C=C\C/C=C\C.CC
InChIInChI=1S/C7H12.C2H6/c1-3-5-7-6-4-2;1-2/h3-6H,7H2,1-2H3;1-2H3/b5-3-,6-4-;
InChIKeyHTLRJDYAOQJUAY-VIOUERSGSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.55
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

hepta-2,5-diene;rhodium
CID 159015179
(4E)-1-chlorohexa-1,4-diene
CID 57257256
ethane;methane;(3Z,6Z)-octa-1,3,6-triene
CID 144530940
hexa-1,4-diene
CID 163631115
magnesium;(2E,5E)-octa-2,5-diene;bromide
CID 15173349
1-aminophosphanylhexa-1,4-diene
CID 57082730
octa-3,6-diene-1-thiol
CID 54552992
ethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene
CID 145324664
hexa-1,4-diene;hydrate
CID 162019515
(4Z,7Z)-2-methylnona-2,4,7-triene
CID 144748240
(2E,5E)-deca-2,5-diene
CID 6429648
(3Z,5Z,8E)-deca-1,3,5,8-tetraene
CID 143634043

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,5Z)-hepta-2,5-diene?
The IUPAC name of ethane;(2Z,5Z)-hepta-2,5-diene (CID 142853970) is ethane;(2Z,5Z)-hepta-2,5-diene.
What is the SMILES notation for ethane;(2Z,5Z)-hepta-2,5-diene?
The canonical SMILES for ethane;(2Z,5Z)-hepta-2,5-diene is C/C=C\C/C=C\C.CC.
What is the InChIKey of ethane;(2Z,5Z)-hepta-2,5-diene?
The InChIKey is HTLRJDYAOQJUAY-VIOUERSGSA-N. The full InChI is InChI=1S/C7H12.C2H6/c1-3-5-7-6-4-2;1-2/h3-6H,7H2,1-2H3;1-2H3/b5-3-,6-4-;.
What are the key properties of ethane;(2Z,5Z)-hepta-2,5-diene?
ethane;(2Z,5Z)-hepta-2,5-diene has a molecular weight of 126.24 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,5Z)-hepta-2,5-diene is sourced from PubChem (CID 142853970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).