(3R)-3-methyl-12-(oxan-2-yloxy)dodecanal

C18H34O3 — CID 10469994

IUPAC(3R)-3-methyl-12-(oxan-2-yloxy)dodecanal
SMILESC[C@@H](CC=O)CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C18H34O3/c1-17(13-14-19)11-7-5-3-2-4-6-9-15-20-18-12-8-10-16-21-18/h14,17-18H,2-13,15-16H2,1H3/t17-,18?/m1/s1
InChIKeyVYURAWCGHZUJSR-QNSVNVJESA-N
MW298.47 g/mol
LogP4.88
Rot. Bonds13

About (3R)-3-methyl-12-(oxan-2-yloxy)dodecanal

(3R)-3-methyl-12-(oxan-2-yloxy)dodecanal (PubChem CID 10469994) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is (3R)-3-methyl-12-(oxan-2-yloxy)dodecanal.

Molecular Properties

Compound Name(3R)-3-methyl-12-(oxan-2-yloxy)dodecanal
PubChem CID10469994
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name(3R)-3-methyl-12-(oxan-2-yloxy)dodecanal
SMILESC[C@@H](CC=O)CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C18H34O3/c1-17(13-14-19)11-7-5-3-2-4-6-9-15-20-18-12-8-10-16-21-18/h14,17-18H,2-13,15-16H2,1H3/t17-,18?/m1/s1
InChIKeyVYURAWCGHZUJSR-QNSVNVJESA-N
XLogP4.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methyl-6-(oxolan-2-yloxy)hexanal
CID 18601301
3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
2-(6-methylheptoxy)oxane
CID 139685112
2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
2-[(3S,7R)-3,7,11-trimethyldodecoxy]oxane
CID 70570325
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-octacosoxyoxane
CID 11214102
2-(10-bromotetradecoxy)oxane
CID 23365986
2-(3-methylpentoxy)oxane
CID 14309360
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
2-[4-(oxan-2-yloxy)butyl]decanoic acid
CID 177221724
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-12-(oxan-2-yloxy)dodecanal?
The IUPAC name of (3R)-3-methyl-12-(oxan-2-yloxy)dodecanal (CID 10469994) is (3R)-3-methyl-12-(oxan-2-yloxy)dodecanal.
What is the SMILES notation for (3R)-3-methyl-12-(oxan-2-yloxy)dodecanal?
The canonical SMILES for (3R)-3-methyl-12-(oxan-2-yloxy)dodecanal is C[C@@H](CC=O)CCCCCCCCCOC1CCCCO1.
What is the InChIKey of (3R)-3-methyl-12-(oxan-2-yloxy)dodecanal?
The InChIKey is VYURAWCGHZUJSR-QNSVNVJESA-N. The full InChI is InChI=1S/C18H34O3/c1-17(13-14-19)11-7-5-3-2-4-6-9-15-20-18-12-8-10-16-21-18/h14,17-18H,2-13,15-16H2,1H3/t17-,18?/m1/s1.
What are the key properties of (3R)-3-methyl-12-(oxan-2-yloxy)dodecanal?
(3R)-3-methyl-12-(oxan-2-yloxy)dodecanal has a molecular weight of 298.47 g/mol, XLogP of 4.88, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-12-(oxan-2-yloxy)dodecanal is sourced from PubChem (CID 10469994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).