(4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate

C14H24O3 — CID 6429159

IUPAC(4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate
SMILESC=C(C)C(O)CC(COC(=O)C(C)C)C(=C)C
InChIInChI=1S/C14H24O3/c1-9(2)12(7-13(15)10(3)4)8-17-14(16)11(5)6/h11-13,15H,1,3,7-8H2,2,4-6H3
InChIKeyJRPNUBRUVFUHGJ-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.70
Rot. Bonds7

About (4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate

(4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate (PubChem CID 6429159) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate.

Molecular Properties

Compound Name(4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate
PubChem CID6429159
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate
SMILESC=C(C)C(O)CC(COC(=O)C(C)C)C(=C)C
InChIInChI=1S/C14H24O3/c1-9(2)12(7-13(15)10(3)4)8-17-14(16)11(5)6/h11-13,15H,1,3,7-8H2,2,4-6H3
InChIKeyJRPNUBRUVFUHGJ-UHFFFAOYSA-N
XLogP2.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.70
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 (4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate?
The IUPAC name of (4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate (CID 6429159) is (4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate.
What is the SMILES notation for (4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate?
The canonical SMILES for (4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate is C=C(C)C(O)CC(COC(=O)C(C)C)C(=C)C.
What is the InChIKey of (4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate?
The InChIKey is JRPNUBRUVFUHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-9(2)12(7-13(15)10(3)4)8-17-14(16)11(5)6/h11-13,15H,1,3,7-8H2,2,4-6H3.
What are the key properties of (4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate?
(4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate has a molecular weight of 240.34 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-5-methyl-2-prop-1-en-2-ylhex-5-enyl) 2-methylpropanoate is sourced from PubChem (CID 6429159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).