ethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate

C16H30O3 — CID 131972278

IUPACethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate
SMILESCCOC(=O)C(CC)CC(C)CC1CCC(O)CC1
InChIInChI=1S/C16H30O3/c1-4-14(16(18)19-5-2)11-12(3)10-13-6-8-15(17)9-7-13/h12-15,17H,4-11H2,1-3H3
InChIKeyPHASDRIRZMYMKU-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.54
Rot. Bonds7

About ethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate

ethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate (PubChem CID 131972278) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is ethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate
PubChem CID131972278
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Nameethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate
SMILESCCOC(=O)C(CC)CC(C)CC1CCC(O)CC1
InChIInChI=1S/C16H30O3/c1-4-14(16(18)19-5-2)11-12(3)10-13-6-8-15(17)9-7-13/h12-15,17H,4-11H2,1-3H3
InChIKeyPHASDRIRZMYMKU-UHFFFAOYSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxycyclohexyl)methyl]butanoic acid
CID 142704422
(2R,4R)-2-(aminomethyl)-5-cyclopropyl-4-methylpentanoic acid
CID 68872167
4-(3-amino-2-methylpropyl)cyclohexan-1-ol
CID 174312157
oxiran-2-ylmethyl 2-ethyl-4-methylhexanoate
CID 59408322
ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
ethyl 2-amino-3-[(4-hydroxycyclohexyl)methylamino]-3-oxopropanoate
CID 106135415
2-amino-7-cyclopropyl-4-ethyl-6-methylheptanoic acid
CID 173198300
8-ethoxycarbonyl-6-methyldecanoic acid
CID 87359944
(2S)-3-(4-hydroxycyclohexyl)-2-methylpropanoic acid
CID 99962556
sodium;ethyl 2-ethylbutanoate;hydride
CID 174848178
2-[(4-hydroxycyclohexyl)methylamino]-N-pentan-2-ylpropanamide
CID 106132906
N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106123043

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate?
The IUPAC name of ethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate (CID 131972278) is ethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate.
What is the SMILES notation for ethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate?
The canonical SMILES for ethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate is CCOC(=O)C(CC)CC(C)CC1CCC(O)CC1.
What is the InChIKey of ethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate?
The InChIKey is PHASDRIRZMYMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-4-14(16(18)19-5-2)11-12(3)10-13-6-8-15(17)9-7-13/h12-15,17H,4-11H2,1-3H3.
What are the key properties of ethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate?
ethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate has a molecular weight of 270.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-5-(4-hydroxycyclohexyl)-4-methylpentanoate is sourced from PubChem (CID 131972278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).