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

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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).