[6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate

C16H30O3 — CID 21315559

IUPAC[6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate
SMILESC=CCCC(CCC(C)CCOC(C)=O)C(C)(C)O
InChIInChI=1S/C16H30O3/c1-6-7-8-15(16(4,5)18)10-9-13(2)11-12-19-14(3)17/h6,13,15,18H,1,7-12H2,2-5H3
InChIKeyYFVLHROVSXVOAN-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.71
Rot. Bonds10

About [6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate

[6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate (PubChem CID 21315559) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is [6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate.

Molecular Properties

Compound Name[6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate
PubChem CID21315559
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name[6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate
SMILESC=CCCC(CCC(C)CCOC(C)=O)C(C)(C)O
InChIInChI=1S/C16H30O3/c1-6-7-8-15(16(4,5)18)10-9-13(2)11-12-19-14(3)17/h6,13,15,18H,1,7-12H2,2-5H3
InChIKeyYFVLHROVSXVOAN-UHFFFAOYSA-N
XLogP3.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate?
The IUPAC name of [6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate (CID 21315559) is [6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate.
What is the SMILES notation for [6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate?
The canonical SMILES for [6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate is C=CCCC(CCC(C)CCOC(C)=O)C(C)(C)O.
What is the InChIKey of [6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate?
The InChIKey is YFVLHROVSXVOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-6-7-8-15(16(4,5)18)10-9-13(2)11-12-19-14(3)17/h6,13,15,18H,1,7-12H2,2-5H3.
What are the key properties of [6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate?
[6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate has a molecular weight of 270.41 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-hydroxypropan-2-yl)-3-methyldec-9-enyl] acetate is sourced from PubChem (CID 21315559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).