ethenol;heptadecane

C19H40O — CID 158851930

IUPACethenol;heptadecane
SMILESC=CO.CCCCCCCCCCCCCCCCC
InChIInChI=1S/C17H36.C2H4O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-2-3/h3-17H2,1-2H3;2-3H,1H2
InChIKeyNNUKQHIUZFRSQS-UHFFFAOYSA-N
MW284.53 g/mol
LogP7.57
Rot. Bonds14

About ethenol;heptadecane

ethenol;heptadecane (PubChem CID 158851930) has the molecular formula C19H40O and a molecular weight of 284.53 g/mol. Its IUPAC name is ethenol;heptadecane.

Molecular Properties

Compound Nameethenol;heptadecane
PubChem CID158851930
Molecular FormulaC19H40O
Molecular Weight284.53 g/mol
Exact Mass284.31
IUPAC Nameethenol;heptadecane
SMILESC=CO.CCCCCCCCCCCCCCCCC
InChIInChI=1S/C17H36.C2H4O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-2-3/h3-17H2,1-2H3;2-3H,1H2
InChIKeyNNUKQHIUZFRSQS-UHFFFAOYSA-N
XLogP7.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethenol;hexane
CID 22706833
1-bromoheptane;ethenol
CID 171626967
butan-1-ol;ethenol
CID 174734131
ethenol;octadecanoic acid
CID 87216470
ethane;prop-1-ene;undecane
CID 171541850
ethene;undecane
CID 161157037
methanol;undecane
CID 161373911
but-1-ene;ethane;nonane
CID 170645806
undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
decane;heptane
CID 159049036

Frequently Asked Questions

What is the IUPAC name of ethenol;heptadecane?
The IUPAC name of ethenol;heptadecane (CID 158851930) is ethenol;heptadecane.
What is the SMILES notation for ethenol;heptadecane?
The canonical SMILES for ethenol;heptadecane is C=CO.CCCCCCCCCCCCCCCCC.
What is the InChIKey of ethenol;heptadecane?
The InChIKey is NNUKQHIUZFRSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36.C2H4O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-2-3/h3-17H2,1-2H3;2-3H,1H2.
What are the key properties of ethenol;heptadecane?
ethenol;heptadecane has a molecular weight of 284.53 g/mol, XLogP of 7.57, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;heptadecane is sourced from PubChem (CID 158851930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).