10-methyl-8-propoxyoxecan-2-one;phenol

C19H30O4 — CID 145114995

IUPAC10-methyl-8-propoxyoxecan-2-one;phenol
SMILESCCCOC1CCCCCC(=O)OC(C)C1.Oc1ccccc1
InChIInChI=1S/C13H24O3.C6H6O/c1-3-9-15-12-7-5-4-6-8-13(14)16-11(2)10-12;7-6-4-2-1-3-5-6/h11-12H,3-10H2,1-2H3;1-5,7H
InChIKeyUXUPOWOJIIZQRV-UHFFFAOYSA-N
MW322.44 g/mol
LogP4.46
Rot. Bonds3

About 10-methyl-8-propoxyoxecan-2-one;phenol

10-methyl-8-propoxyoxecan-2-one;phenol (PubChem CID 145114995) has the molecular formula C19H30O4 and a molecular weight of 322.44 g/mol. Its IUPAC name is 10-methyl-8-propoxyoxecan-2-one;phenol.

Molecular Properties

Compound Name10-methyl-8-propoxyoxecan-2-one;phenol
PubChem CID145114995
Molecular FormulaC19H30O4
Molecular Weight322.44 g/mol
Exact Mass322.21
IUPAC Name10-methyl-8-propoxyoxecan-2-one;phenol
SMILESCCCOC1CCCCCC(=O)OC(C)C1.Oc1ccccc1
InChIInChI=1S/C13H24O3.C6H6O/c1-3-9-15-12-7-5-4-6-8-13(14)16-11(2)10-12;7-6-4-2-1-3-5-6/h11-12H,3-10H2,1-2H3;1-5,7H
InChIKeyUXUPOWOJIIZQRV-UHFFFAOYSA-N
XLogP4.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-8-propoxyoxecan-2-one;phenol?
The IUPAC name of 10-methyl-8-propoxyoxecan-2-one;phenol (CID 145114995) is 10-methyl-8-propoxyoxecan-2-one;phenol.
What is the SMILES notation for 10-methyl-8-propoxyoxecan-2-one;phenol?
The canonical SMILES for 10-methyl-8-propoxyoxecan-2-one;phenol is CCCOC1CCCCCC(=O)OC(C)C1.Oc1ccccc1.
What is the InChIKey of 10-methyl-8-propoxyoxecan-2-one;phenol?
The InChIKey is UXUPOWOJIIZQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3.C6H6O/c1-3-9-15-12-7-5-4-6-8-13(14)16-11(2)10-12;7-6-4-2-1-3-5-6/h11-12H,3-10H2,1-2H3;1-5,7H.
What are the key properties of 10-methyl-8-propoxyoxecan-2-one;phenol?
10-methyl-8-propoxyoxecan-2-one;phenol has a molecular weight of 322.44 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-8-propoxyoxecan-2-one;phenol is sourced from PubChem (CID 145114995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).