ethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate

C12H22O4 — CID 141275271

IUPACethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate
SMILESCCCC1CC(O)CC(O)C1C(=O)OCC
InChIInChI=1S/C12H22O4/c1-3-5-8-6-9(13)7-10(14)11(8)12(15)16-4-2/h8-11,13-14H,3-7H2,1-2H3
InChIKeyKSVAYRVEDKTFBU-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.10
Rot. Bonds4

About ethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate

ethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate (PubChem CID 141275271) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is ethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate
PubChem CID141275271
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Nameethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate
SMILESCCCC1CC(O)CC(O)C1C(=O)OCC
InChIInChI=1S/C12H22O4/c1-3-5-8-6-9(13)7-10(14)11(8)12(15)16-4-2/h8-11,13-14H,3-7H2,1-2H3
InChIKeyKSVAYRVEDKTFBU-UHFFFAOYSA-N
XLogP1.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
CID 45090224
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
(1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid
CID 59619444
ethyl 2-hydroxy-2,3,3a,4,7,7a-hexahydro-1H-indene-1-carboxylate
CID 535255
ethyl (1R,2S,3S,4S)-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 102174206
ethyl (1S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 161298426
tetraethyl bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylate
CID 12580813
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
ethyl (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate
CID 6992701

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate?
The IUPAC name of ethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate (CID 141275271) is ethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate?
The canonical SMILES for ethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate is CCCC1CC(O)CC(O)C1C(=O)OCC.
What is the InChIKey of ethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate?
The InChIKey is KSVAYRVEDKTFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-3-5-8-6-9(13)7-10(14)11(8)12(15)16-4-2/h8-11,13-14H,3-7H2,1-2H3.
What are the key properties of ethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate?
ethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate has a molecular weight of 230.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dihydroxy-6-propylcyclohexane-1-carboxylate is sourced from PubChem (CID 141275271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).