3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene

C37H74 — CID 173215859

IUPAC3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene
SMILESC=CC(CC)CCCC(CC)CC.C=CCCCCC(CC)CCC.CCCCCCCCC=C(C)C
InChIInChI=1S/C13H26.2C12H24/c1-5-12(6-2)10-9-11-13(7-3)8-4;1-4-5-6-7-8-9-10-11-12(2)3;1-4-7-8-9-11-12(6-3)10-5-2/h5,12-13H,1,6-11H2,2-4H3;11H,4-10H2,1-3H3;4,12H,1,5-11H2,2-3H3
InChIKeyKAHDNFHWTGMDPA-UHFFFAOYSA-N
MW519.00 g/mol
LogP14.07
Rot. Bonds23

About 3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene

3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene (PubChem CID 173215859) has the molecular formula C37H74 and a molecular weight of 519.00 g/mol. Its IUPAC name is 3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene.

Molecular Properties

Compound Name3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene
PubChem CID173215859
Molecular FormulaC37H74
Molecular Weight519.00 g/mol
Exact Mass518.58
IUPAC Name3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene
SMILESC=CC(CC)CCCC(CC)CC.C=CCCCCC(CC)CCC.CCCCCCCCC=C(C)C
InChIInChI=1S/C13H26.2C12H24/c1-5-12(6-2)10-9-11-13(7-3)8-4;1-4-5-6-7-8-9-10-11-12(2)3;1-4-7-8-9-11-12(6-3)10-5-2/h5,12-13H,1,6-11H2,2-4H3;11H,4-10H2,1-3H3;4,12H,1,5-11H2,2-3H3
InChIKeyKAHDNFHWTGMDPA-UHFFFAOYSA-N
XLogP14.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.00
LogP ≤ 514.07
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-ethyldocos-1-ene
CID 91804827
8-ethylpentadec-1-ene
CID 91081893
9-ethylhexadec-1-ene
CID 163949602
6-ethyltridec-1-ene
CID 174048481
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
9-propyldodec-1-ene
CID 174048054
26-heptadecylnonapentacont-1-ene
CID 123445046
(3R)-3-ethyloct-1-ene
CID 50898077
5-ethenyl-2-methyldodec-2-ene
CID 134980281
7-propylundec-1-ene
CID 174048285
9-butyltetracosane;icosane;oct-1-ene
CID 159857155

Frequently Asked Questions

What is the IUPAC name of 3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene?
The IUPAC name of 3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene (CID 173215859) is 3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene.
What is the SMILES notation for 3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene?
The canonical SMILES for 3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene is C=CC(CC)CCCC(CC)CC.C=CCCCCC(CC)CCC.CCCCCCCCC=C(C)C.
What is the InChIKey of 3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene?
The InChIKey is KAHDNFHWTGMDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26.2C12H24/c1-5-12(6-2)10-9-11-13(7-3)8-4;1-4-5-6-7-8-9-10-11-12(2)3;1-4-7-8-9-11-12(6-3)10-5-2/h5,12-13H,1,6-11H2,2-4H3;11H,4-10H2,1-3H3;4,12H,1,5-11H2,2-3H3.
What are the key properties of 3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene?
3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene has a molecular weight of 519.00 g/mol, XLogP of 14.07, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethylnon-1-ene;7-ethyldec-1-ene;2-methylundec-2-ene is sourced from PubChem (CID 173215859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).