2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane

C23H40O3 — CID 160827307

IUPAC2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane
SMILESC.C.C.C.CCC(CC(C)c1ccc2ccccc2c1)C(=O)OCCO
InChIInChI=1S/C19H24O3.4CH4/c1-3-15(19(21)22-11-10-20)12-14(2)17-9-8-16-6-4-5-7-18(16)13-17;;;;/h4-9,13-15,20H,3,10-12H2,1-2H3;4*1H4
InChIKeySGIUEDYLXDJTJW-UHFFFAOYSA-N
MW364.57 g/mol
LogP6.44
Rot. Bonds7

About 2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane

2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane (PubChem CID 160827307) has the molecular formula C23H40O3 and a molecular weight of 364.57 g/mol. Its IUPAC name is 2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane.

Molecular Properties

Compound Name2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane
PubChem CID160827307
Molecular FormulaC23H40O3
Molecular Weight364.57 g/mol
Exact Mass364.30
IUPAC Name2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane
SMILESC.C.C.C.CCC(CC(C)c1ccc2ccccc2c1)C(=O)OCCO
InChIInChI=1S/C19H24O3.4CH4/c1-3-15(19(21)22-11-10-20)12-14(2)17-9-8-16-6-4-5-7-18(16)13-17;;;;/h4-9,13-15,20H,3,10-12H2,1-2H3;4*1H4
InChIKeySGIUEDYLXDJTJW-UHFFFAOYSA-N
XLogP6.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl 2-methyl-4-naphthalen-2-ylhexanoate
CID 162466314
butyl 2-ethyl-4-(4-hydroxyphenyl)pentanoate;methane
CID 159769667
2-(4-ethoxypentan-2-yl)naphthalene
CID 129253076
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
2-(4-chloropentan-2-yl)naphthalene
CID 64719465
2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165
2-naphthalen-2-ylbutanoic acid
CID 27266
[(1R)-1-naphthalen-2-ylpropyl] acetate
CID 58079221
methyl 2-[amino(naphthalen-2-yl)methyl]butanoate
CID 116946047
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967
(2R)-2-naphthalen-2-ylpropanamide
CID 101175106

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane?
The IUPAC name of 2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane (CID 160827307) is 2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane.
What is the SMILES notation for 2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane?
The canonical SMILES for 2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane is C.C.C.C.CCC(CC(C)c1ccc2ccccc2c1)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane?
The InChIKey is SGIUEDYLXDJTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3.4CH4/c1-3-15(19(21)22-11-10-20)12-14(2)17-9-8-16-6-4-5-7-18(16)13-17;;;;/h4-9,13-15,20H,3,10-12H2,1-2H3;4*1H4.
What are the key properties of 2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane?
2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane has a molecular weight of 364.57 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-ethyl-4-naphthalen-2-ylpentanoate;methane is sourced from PubChem (CID 160827307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).