ethane;9-ethenylheptadecane;octane

C29H62 — CID 168985515

IUPACethane;9-ethenylheptadecane;octane
SMILESC=CC(CCCCCCCC)CCCCCCCC.CC.CCCCCCCC
InChIInChI=1S/C19H38.C8H18.C2H6/c1-4-7-9-11-13-15-17-19(6-3)18-16-14-12-10-8-5-2;1-3-5-7-8-6-4-2;1-2/h6,19H,3-5,7-18H2,1-2H3;3-8H2,1-2H3;1-2H3
InChIKeyZYIRYHLAVQMFTK-UHFFFAOYSA-N
MW410.82 g/mol
LogP11.68
Rot. Bonds20

About ethane;9-ethenylheptadecane;octane

ethane;9-ethenylheptadecane;octane (PubChem CID 168985515) has the molecular formula C29H62 and a molecular weight of 410.82 g/mol. Its IUPAC name is ethane;9-ethenylheptadecane;octane.

Molecular Properties

Compound Nameethane;9-ethenylheptadecane;octane
PubChem CID168985515
Molecular FormulaC29H62
Molecular Weight410.82 g/mol
Exact Mass410.49
IUPAC Nameethane;9-ethenylheptadecane;octane
SMILESC=CC(CCCCCCCC)CCCCCCCC.CC.CCCCCCCC
InChIInChI=1S/C19H38.C8H18.C2H6/c1-4-7-9-11-13-15-17-19(6-3)18-16-14-12-10-8-5-2;1-3-5-7-8-6-4-2;1-2/h6,19H,3-5,7-18H2,1-2H3;3-8H2,1-2H3;1-2H3
InChIKeyZYIRYHLAVQMFTK-UHFFFAOYSA-N
XLogP11.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.82
LogP ≤ 511.68
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

10-ethenylnonadecane
CID 57244946
(3R)-3-ethyloct-1-ene
CID 50898077
4-ethenyldecane;octan-1-amine
CID 177360659
6-ethenyldecanal
CID 18790893
5-ethenyl-2-methyldodec-2-ene
CID 134980281
3-ethenylnon-1-ene
CID 123641938
3-ethylhept-1-ene
CID 12923943
1-(3-ethenyldodecyl)pyridin-1-ium iodide
CID 69119777
3-(ethoxymethoxymethyl)dec-1-ene
CID 150328401
3-ethyltetradeca-1,7-diene
CID 173182513
2-ethenyltetradecylbenzene
CID 173452613
6-ethenyldecyl acetate
CID 18790895

Frequently Asked Questions

What is the IUPAC name of ethane;9-ethenylheptadecane;octane?
The IUPAC name of ethane;9-ethenylheptadecane;octane (CID 168985515) is ethane;9-ethenylheptadecane;octane.
What is the SMILES notation for ethane;9-ethenylheptadecane;octane?
The canonical SMILES for ethane;9-ethenylheptadecane;octane is C=CC(CCCCCCCC)CCCCCCCC.CC.CCCCCCCC.
What is the InChIKey of ethane;9-ethenylheptadecane;octane?
The InChIKey is ZYIRYHLAVQMFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38.C8H18.C2H6/c1-4-7-9-11-13-15-17-19(6-3)18-16-14-12-10-8-5-2;1-3-5-7-8-6-4-2;1-2/h6,19H,3-5,7-18H2,1-2H3;3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;9-ethenylheptadecane;octane?
ethane;9-ethenylheptadecane;octane has a molecular weight of 410.82 g/mol, XLogP of 11.68, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-ethenylheptadecane;octane is sourced from PubChem (CID 168985515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).