(Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one

C15H26O2 — CID 146018143

IUPAC(Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one
SMILESC=C(C)[C@H](C/C=C(/C)CCCO)CC(=O)CC
InChIInChI=1S/C15H26O2/c1-5-15(17)11-14(12(2)3)9-8-13(4)7-6-10-16/h8,14,16H,2,5-7,9-11H2,1,3-4H3/b13-8-/t14-/m1/s1
InChIKeyCTWGARAOGWYBOX-YLHGKKIISA-N
MW238.37 g/mol
LogP3.66
Rot. Bonds9

About (Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one

(Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one (PubChem CID 146018143) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one.

Molecular Properties

Compound Name(Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one
PubChem CID146018143
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one
SMILESC=C(C)[C@H](C/C=C(/C)CCCO)CC(=O)CC
InChIInChI=1S/C15H26O2/c1-5-15(17)11-14(12(2)3)9-8-13(4)7-6-10-16/h8,14,16H,2,5-7,9-11H2,1,3-4H3/b13-8-/t14-/m1/s1
InChIKeyCTWGARAOGWYBOX-YLHGKKIISA-N
XLogP3.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one?
The IUPAC name of (Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one (CID 146018143) is (Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one.
What is the SMILES notation for (Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one?
The canonical SMILES for (Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one is C=C(C)[C@H](C/C=C(/C)CCCO)CC(=O)CC.
What is the InChIKey of (Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one?
The InChIKey is CTWGARAOGWYBOX-YLHGKKIISA-N. The full InChI is InChI=1S/C15H26O2/c1-5-15(17)11-14(12(2)3)9-8-13(4)7-6-10-16/h8,14,16H,2,5-7,9-11H2,1,3-4H3/b13-8-/t14-/m1/s1.
What are the key properties of (Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one?
(Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one has a molecular weight of 238.37 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R)-11-hydroxy-8-methyl-5-prop-1-en-2-ylundec-7-en-3-one is sourced from PubChem (CID 146018143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).