methyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate

C24H38O3 — CID 5273615

IUPACmethyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate
SMILESCOC(=O)CC1CCCC(CCCCCCCCCCc2ccccc2)O1
InChIInChI=1S/C24H38O3/c1-26-24(25)20-23-19-13-18-22(27-23)17-12-7-5-3-2-4-6-9-14-21-15-10-8-11-16-21/h8,10-11,15-16,22-23H,2-7,9,12-14,17-20H2,1H3
InChIKeyUYTVHKZGZWOESS-UHFFFAOYSA-N
MW374.57 g/mol
LogP6.24
Rot. Bonds13

About methyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate

methyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate (PubChem CID 5273615) has the molecular formula C24H38O3 and a molecular weight of 374.57 g/mol. Its IUPAC name is methyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate
PubChem CID5273615
Molecular FormulaC24H38O3
Molecular Weight374.57 g/mol
Exact Mass374.28
IUPAC Namemethyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate
SMILESCOC(=O)CC1CCCC(CCCCCCCCCCc2ccccc2)O1
InChIInChI=1S/C24H38O3/c1-26-24(25)20-23-19-13-18-22(27-23)17-12-7-5-3-2-4-6-9-14-21-15-10-8-11-16-21/h8,10-11,15-16,22-23H,2-7,9,12-14,17-20H2,1H3
InChIKeyUYTVHKZGZWOESS-UHFFFAOYSA-N
XLogP6.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate?
The IUPAC name of methyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate (CID 5273615) is methyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate is COC(=O)CC1CCCC(CCCCCCCCCCc2ccccc2)O1.
What is the InChIKey of methyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate?
The InChIKey is UYTVHKZGZWOESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O3/c1-26-24(25)20-23-19-13-18-22(27-23)17-12-7-5-3-2-4-6-9-14-21-15-10-8-11-16-21/h8,10-11,15-16,22-23H,2-7,9,12-14,17-20H2,1H3.
What are the key properties of methyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate?
methyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate has a molecular weight of 374.57 g/mol, XLogP of 6.24, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate is sourced from PubChem (CID 5273615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).