1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate

C41H54O10 — CID 91450828

IUPAC1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate
SMILESCC(=O)OC(C)COCCOCCc1cccc2c(CCOCCOCC(C)O)cccc12.CC(=O)OC(C)COc1ccc2ccccc2c1
InChIInChI=1S/C26H38O7.C15H16O3/c1-20(27)18-31-16-14-29-12-10-23-6-4-9-26-24(7-5-8-25(23)26)11-13-30-15-17-32-19-21(2)33-22(3)28;1-11(18-12(2)16)10-17-15-8-7-13-5-3-4-6-14(13)9-15/h4-9,20-21,27H,10-19H2,1-3H3;3-9,11H,10H2,1-2H3
InChIKeyKHMVAMHYKRRVCT-UHFFFAOYSA-N
MW706.87 g/mol
LogP6.49
Rot. Bonds21

About 1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate

1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate (PubChem CID 91450828) has the molecular formula C41H54O10 and a molecular weight of 706.87 g/mol. Its IUPAC name is 1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate.

Molecular Properties

Compound Name1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate
PubChem CID91450828
Molecular FormulaC41H54O10
Molecular Weight706.87 g/mol
Exact Mass706.37
IUPAC Name1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate
SMILESCC(=O)OC(C)COCCOCCc1cccc2c(CCOCCOCC(C)O)cccc12.CC(=O)OC(C)COc1ccc2ccccc2c1
InChIInChI=1S/C26H38O7.C15H16O3/c1-20(27)18-31-16-14-29-12-10-23-6-4-9-26-24(7-5-8-25(23)26)11-13-30-15-17-32-19-21(2)33-22(3)28;1-11(18-12(2)16)10-17-15-8-7-13-5-3-4-6-14(13)9-15/h4-9,20-21,27H,10-19H2,1-3H3;3-9,11H,10H2,1-2H3
InChIKeyKHMVAMHYKRRVCT-UHFFFAOYSA-N
XLogP6.49
TPSA118.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.87
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-2-yloxypropan-2-ol
CID 2793897
2-(2-methoxypropoxy)naphthalene
CID 155439775
2-phenanthren-2-yloxyethyl 2-methylpropanoate
CID 130451688
2-[2-(4-methoxyphenoxy)propoxy]naphthalene
CID 86155874
[(2R)-1-cyano-3-naphthalen-2-yloxypropan-2-yl] acetate
CID 101129347
N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
1-(4-phenylmethoxyphenoxy)propan-2-yl acetate
CID 54480267
2-naphthalen-1-ylethyl acetate
CID 592920
1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol
CID 139698251
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-propan-2-ylacetamide
CID 17479065
4-naphthalen-2-yloxypentan-2-ol
CID 64720616
3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
CID 10707168

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate?
The IUPAC name of 1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate (CID 91450828) is 1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate.
What is the SMILES notation for 1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate?
The canonical SMILES for 1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate is CC(=O)OC(C)COCCOCCc1cccc2c(CCOCCOCC(C)O)cccc12.CC(=O)OC(C)COc1ccc2ccccc2c1.
What is the InChIKey of 1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate?
The InChIKey is KHMVAMHYKRRVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O7.C15H16O3/c1-20(27)18-31-16-14-29-12-10-23-6-4-9-26-24(7-5-8-25(23)26)11-13-30-15-17-32-19-21(2)33-22(3)28;1-11(18-12(2)16)10-17-15-8-7-13-5-3-4-6-14(13)9-15/h4-9,20-21,27H,10-19H2,1-3H3;3-9,11H,10H2,1-2H3.
What are the key properties of 1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate?
1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate has a molecular weight of 706.87 g/mol, XLogP of 6.49, 21 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[5-[2-[2-(2-hydroxypropoxy)ethoxy]ethyl]naphthalen-1-yl]ethoxy]ethoxy]propan-2-yl acetate;1-naphthalen-2-yloxypropan-2-yl acetate is sourced from PubChem (CID 91450828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).