ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene

C14H28 — CID 142883433

IUPACethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
SMILESC=C/C(CC)=C(C)\C=C/C.CC.CC
InChIInChI=1S/C10H16.2C2H6/c1-5-8-9(4)10(6-2)7-3;2*1-2/h5-6,8H,2,7H2,1,3-4H3;2*1-2H3/b8-5-,10-9+;;
InChIKeyRLVYCQNEQIHPIG-IIAADVMRSA-N
MW196.38 g/mol
LogP5.53
Rot. Bonds3

About ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene

ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene (PubChem CID 142883433) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
PubChem CID142883433
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Nameethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
SMILESC=C/C(CC)=C(C)\C=C/C.CC.CC
InChIInChI=1S/C10H16.2C2H6/c1-5-8-9(4)10(6-2)7-3;2*1-2/h5-6,8H,2,7H2,1,3-4H3;2*1-2H3/b8-5-,10-9+;;
InChIKeyRLVYCQNEQIHPIG-IIAADVMRSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 143972745
ethane;(3E,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 145032190
(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol
CID 143045895
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
(2Z,4Z,6Z)-4-methyl-5-propylocta-2,4,6-triene
CID 144517044
(3E)-3-ethyl-4-iodopenta-1,3-diene
CID 88557355
(3Z,5Z)-3,4-diethylocta-1,3,5,7-tetraene;ethane
CID 162432866
(4Z)-N,5-dimethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-imine;ethane
CID 143773644
(3Z,5Z)-3-(aminomethyl)hepta-1,3,5-trien-4-ol
CID 145191934
(3E)-3-ethyl-4-methylhexa-1,3-diene;methane;propane
CID 143938090
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
ethane;(3E,5Z)-4-propylhepta-1,3,5-trien-3-ol
CID 143682761

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene?
The IUPAC name of ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene (CID 142883433) is ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene is C=C/C(CC)=C(C)\C=C/C.CC.CC.
What is the InChIKey of ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene?
The InChIKey is RLVYCQNEQIHPIG-IIAADVMRSA-N. The full InChI is InChI=1S/C10H16.2C2H6/c1-5-8-9(4)10(6-2)7-3;2*1-2/h5-6,8H,2,7H2,1,3-4H3;2*1-2H3/b8-5-,10-9+;;.
What are the key properties of ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene?
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene has a molecular weight of 196.38 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene is sourced from PubChem (CID 142883433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).