ethane;henicos-4-ene;propane

C26H56 — CID 144512101

IUPACethane;henicos-4-ene;propane
SMILESCC.CCC.CCCC=CCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H42.C3H8.C2H6/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-3-2;1-2/h7,9H,3-6,8,10-21H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyLFWDUMPXGOASGS-UHFFFAOYSA-N
MW368.73 g/mol
LogP10.66
Rot. Bonds17

About ethane;henicos-4-ene;propane

ethane;henicos-4-ene;propane (PubChem CID 144512101) has the molecular formula C26H56 and a molecular weight of 368.73 g/mol. Its IUPAC name is ethane;henicos-4-ene;propane.

Molecular Properties

Compound Nameethane;henicos-4-ene;propane
PubChem CID144512101
Molecular FormulaC26H56
Molecular Weight368.73 g/mol
Exact Mass368.44
IUPAC Nameethane;henicos-4-ene;propane
SMILESCC.CCC.CCCC=CCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H42.C3H8.C2H6/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-3-2;1-2/h7,9H,3-6,8,10-21H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyLFWDUMPXGOASGS-UHFFFAOYSA-N
XLogP10.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.73
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-tridec-4-ene
CID 5362712
(Z)-tridec-6-ene;(Z)-undec-4-ene
CID 161365587
henicosa-4,14-diene
CID 91309991
dodec-4-ene;hydrochloride
CID 175415968
pentadeca-4,8-diene
CID 90864504
dodec-4-ene;ethene
CID 175558519
(E)-nonacos-10-ene
CID 14367300
(Z)-tricos-11-ene
CID 5356790
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-hexacos-10-ene
CID 22172169
(Z)-docos-9-ene
CID 11690102
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of ethane;henicos-4-ene;propane?
The IUPAC name of ethane;henicos-4-ene;propane (CID 144512101) is ethane;henicos-4-ene;propane.
What is the SMILES notation for ethane;henicos-4-ene;propane?
The canonical SMILES for ethane;henicos-4-ene;propane is CC.CCC.CCCC=CCCCCCCCCCCCCCCCC.
What is the InChIKey of ethane;henicos-4-ene;propane?
The InChIKey is LFWDUMPXGOASGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42.C3H8.C2H6/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-3-2;1-2/h7,9H,3-6,8,10-21H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;henicos-4-ene;propane?
ethane;henicos-4-ene;propane has a molecular weight of 368.73 g/mol, XLogP of 10.66, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;henicos-4-ene;propane is sourced from PubChem (CID 144512101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).