(6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one

C19H36O4 — CID 135030068

IUPAC(6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one
SMILESCCCCCCCCCCC[C@]1(COCOC)CCCC(=O)O1
InChIInChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-14-19(16-22-17-21-2)15-12-13-18(20)23-19/h3-17H2,1-2H3/t19-/m1/s1
InChIKeyMWZPKPSMRLAEIC-LJQANCHMSA-N
MW328.49 g/mol
LogP4.99
Rot. Bonds14

About (6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one

(6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one (PubChem CID 135030068) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is (6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one.

Molecular Properties

Compound Name(6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one
PubChem CID135030068
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name(6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one
SMILESCCCCCCCCCCC[C@]1(COCOC)CCCC(=O)O1
InChIInChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-14-19(16-22-17-21-2)15-12-13-18(20)23-19/h3-17H2,1-2H3/t19-/m1/s1
InChIKeyMWZPKPSMRLAEIC-LJQANCHMSA-N
XLogP4.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1-Ethylpentyl)-1,3-dioxan-5-yl laurate
CID 16206193
(6R)-6-butyl-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-one
CID 102392244
Ethyl 10,11-(isopropylidenedioxy)-10-methyl-7-oxotridecanoate
CID 129803951
(6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-undecyloxan-2-one
CID 11279683
3-[2-(4-Methylcyclohexyl)ethyl]-6-(5-pentyl-1,3-dioxan-2-yl)oxan-2-one
CID 57938149
(2-Hexyl-2-methyl-1,3-dioxan-5-yl) 4-methyloctanoate
CID 58004865
1,4-Dioxan-2-yl 2-ethyloctanoate
CID 68531125
CID 88156561
CID 88156561
1-O-tert-butyl 6-O-[1-[2-(3-methylpentan-2-yloxy)ethoxy]ethyl] 2-propylhexanedioate
CID 89147992
6-Nonyl-6-[7-(6-oxooxan-2-yl)heptyl]oxan-2-one
CID 90301894
(2-Heptan-3-yl-1,3-dioxan-5-yl) decanoate
CID 117715292
(2-Heptan-3-yl-1,3-dioxan-5-yl) octanoate
CID 117715296

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one?
The IUPAC name of (6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one (CID 135030068) is (6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one.
What is the SMILES notation for (6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one?
The canonical SMILES for (6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one is CCCCCCCCCCC[C@]1(COCOC)CCCC(=O)O1.
What is the InChIKey of (6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one?
The InChIKey is MWZPKPSMRLAEIC-LJQANCHMSA-N. The full InChI is InChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-14-19(16-22-17-21-2)15-12-13-18(20)23-19/h3-17H2,1-2H3/t19-/m1/s1.
What are the key properties of (6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one?
(6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one has a molecular weight of 328.49 g/mol, XLogP of 4.99, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(methoxymethoxymethyl)-6-undecyloxan-2-one is sourced from PubChem (CID 135030068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).