dec-1-ene;ethane-1,2-diol

C12H26O2 — CID 87306411

IUPACdec-1-ene;ethane-1,2-diol
SMILESC=CCCCCCCCC.OCCO
InChIInChI=1S/C10H20.C2H6O2/c1-3-5-7-9-10-8-6-4-2;3-1-2-4/h3H,1,4-10H2,2H3;3-4H,1-2H2
InChIKeyXDYKVFKKFVLQHB-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.89
Rot. Bonds8

About dec-1-ene;ethane-1,2-diol

dec-1-ene;ethane-1,2-diol (PubChem CID 87306411) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is dec-1-ene;ethane-1,2-diol.

Molecular Properties

Compound Namedec-1-ene;ethane-1,2-diol
PubChem CID87306411
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Namedec-1-ene;ethane-1,2-diol
SMILESC=CCCCCCCCC.OCCO
InChIInChI=1S/C10H20.C2H6O2/c1-3-5-7-9-10-8-6-4-2;3-1-2-4/h3H,1,4-10H2,2H3;3-4H,1-2H2
InChIKeyXDYKVFKKFVLQHB-UHFFFAOYSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

non-1-ene
CID 141296734
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CID 175577514
octadeca-1,17-diene;tetradec-1-ene
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octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
heptan-1-ol;hex-1-ene
CID 141435277
dec-1-ene;ethene
CID 161044144
oct-1-ene;tetrahydrochloride
CID 172847494
oct-1-ene;hydrobromide
CID 88838560
dodec-1-ene;ethene
CID 158697165
decan-1-ol;dec-9-en-1-ol;trichlororhodium
CID 158308896

Frequently Asked Questions

What is the IUPAC name of dec-1-ene;ethane-1,2-diol?
The IUPAC name of dec-1-ene;ethane-1,2-diol (CID 87306411) is dec-1-ene;ethane-1,2-diol.
What is the SMILES notation for dec-1-ene;ethane-1,2-diol?
The canonical SMILES for dec-1-ene;ethane-1,2-diol is C=CCCCCCCCC.OCCO.
What is the InChIKey of dec-1-ene;ethane-1,2-diol?
The InChIKey is XDYKVFKKFVLQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C2H6O2/c1-3-5-7-9-10-8-6-4-2;3-1-2-4/h3H,1,4-10H2,2H3;3-4H,1-2H2.
What are the key properties of dec-1-ene;ethane-1,2-diol?
dec-1-ene;ethane-1,2-diol has a molecular weight of 202.34 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-ene;ethane-1,2-diol is sourced from PubChem (CID 87306411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).