ethane;(5E)-5-propan-2-ylhepta-1,5-diene

C12H24 — CID 142226106

IUPACethane;(5E)-5-propan-2-ylhepta-1,5-diene
SMILESC=CCC/C(=C\C)C(C)C.CC
InChIInChI=1S/C10H18.C2H6/c1-5-7-8-10(6-2)9(3)4;1-2/h5-6,9H,1,7-8H2,2-4H3;1-2H3/b10-6+;
InChIKeyQYPPASJHHQNPJP-AAGWESIMSA-N
MW168.32 g/mol
LogP4.58
Rot. Bonds4

About ethane;(5E)-5-propan-2-ylhepta-1,5-diene

ethane;(5E)-5-propan-2-ylhepta-1,5-diene (PubChem CID 142226106) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is ethane;(5E)-5-propan-2-ylhepta-1,5-diene.

Molecular Properties

Compound Nameethane;(5E)-5-propan-2-ylhepta-1,5-diene
PubChem CID142226106
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Nameethane;(5E)-5-propan-2-ylhepta-1,5-diene
SMILESC=CCC/C(=C\C)C(C)C.CC
InChIInChI=1S/C10H18.C2H6/c1-5-7-8-10(6-2)9(3)4;1-2/h5-6,9H,1,7-8H2,2-4H3;1-2H3/b10-6+;
InChIKeyQYPPASJHHQNPJP-AAGWESIMSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.58
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

ethane;(5Z)-5-methylhepta-1,5-diene
CID 142997772
(5E)-5-bromohepta-1,5-diene
CID 163878412
(E)-3-propan-2-ylhex-2-ene
CID 142020071
5-methylhepta-1,5-diene
CID 54049787
ethane;N-fluoro-N-methylhexa-1,5-dien-2-amine
CID 162360697
2,3-dimethyloct-7-en-4-one
CID 114974911
(Z)-6,7-dimethyl-3-propan-2-yloct-2-ene
CID 58663285
ethane;2-methylhexa-1,5-diene;molecular hydrogen
CID 144513072
CID 173034653
CID 173034653
ethane;(2E)-2-ethylidenehex-5-enamide
CID 144971443
(5E)-5-methoxyhepta-1,5-diene
CID 88979708
hexa-1,5-dien-2-ol
CID 71321875

Frequently Asked Questions

What is the IUPAC name of ethane;(5E)-5-propan-2-ylhepta-1,5-diene?
The IUPAC name of ethane;(5E)-5-propan-2-ylhepta-1,5-diene (CID 142226106) is ethane;(5E)-5-propan-2-ylhepta-1,5-diene.
What is the SMILES notation for ethane;(5E)-5-propan-2-ylhepta-1,5-diene?
The canonical SMILES for ethane;(5E)-5-propan-2-ylhepta-1,5-diene is C=CCC/C(=C\C)C(C)C.CC.
What is the InChIKey of ethane;(5E)-5-propan-2-ylhepta-1,5-diene?
The InChIKey is QYPPASJHHQNPJP-AAGWESIMSA-N. The full InChI is InChI=1S/C10H18.C2H6/c1-5-7-8-10(6-2)9(3)4;1-2/h5-6,9H,1,7-8H2,2-4H3;1-2H3/b10-6+;.
What are the key properties of ethane;(5E)-5-propan-2-ylhepta-1,5-diene?
ethane;(5E)-5-propan-2-ylhepta-1,5-diene has a molecular weight of 168.32 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-5-propan-2-ylhepta-1,5-diene is sourced from PubChem (CID 142226106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).