2-hexyldec-1-en-1-ol

C16H32O — CID 85340680

IUPAC2-hexyldec-1-en-1-ol
SMILESCCCCCCCCC(=CO)CCCCCC
InChIInChI=1S/C16H32O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h15,17H,3-14H2,1-2H3
InChIKeyAYTKOVGJFIEFCT-UHFFFAOYSA-N
MW240.43 g/mol
LogP6.15
Rot. Bonds12

About 2-hexyldec-1-en-1-ol

2-hexyldec-1-en-1-ol (PubChem CID 85340680) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-hexyldec-1-en-1-ol.

Molecular Properties

Compound Name2-hexyldec-1-en-1-ol
PubChem CID85340680
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name2-hexyldec-1-en-1-ol
SMILESCCCCCCCCC(=CO)CCCCCC
InChIInChI=1S/C16H32O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h15,17H,3-14H2,1-2H3
InChIKeyAYTKOVGJFIEFCT-UHFFFAOYSA-N
XLogP6.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 56.15
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

6-ethylidenehexadecane
CID 169207706
2-methylhept-1-en-1-ol
CID 141483452
5-butylicos-4-ene
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[(E)-2-butyloct-1-enyl]-trimethylsilane
CID 10037319
(E)-5-butyltridec-4-ene
CID 12531554
(E)-3-ethyldec-2-en-1-ol
CID 118599698
6-ethyltridec-6-ene
CID 123238287
5-ethyldodec-4-ene
CID 123814834
(Z)-7-ethyltetradec-7-ene
CID 134978641
(E)-3-heptylundec-2-enoic acid
CID 176810825
ethenol;heptadecane
CID 158851930
9,10-dioctyloctadec-9-ene
CID 10814462

Frequently Asked Questions

What is the IUPAC name of 2-hexyldec-1-en-1-ol?
The IUPAC name of 2-hexyldec-1-en-1-ol (CID 85340680) is 2-hexyldec-1-en-1-ol.
What is the SMILES notation for 2-hexyldec-1-en-1-ol?
The canonical SMILES for 2-hexyldec-1-en-1-ol is CCCCCCCCC(=CO)CCCCCC.
What is the InChIKey of 2-hexyldec-1-en-1-ol?
The InChIKey is AYTKOVGJFIEFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h15,17H,3-14H2,1-2H3.
What are the key properties of 2-hexyldec-1-en-1-ol?
2-hexyldec-1-en-1-ol has a molecular weight of 240.43 g/mol, XLogP of 6.15, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyldec-1-en-1-ol is sourced from PubChem (CID 85340680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).