ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate

C12H24O4 — CID 143528155

IUPACethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate
SMILESCC.CCOC(=O)C1(O)CCC(OC)CC1
InChIInChI=1S/C10H18O4.C2H6/c1-3-14-9(11)10(12)6-4-8(13-2)5-7-10;1-2/h8,12H,3-7H2,1-2H3;1-2H3
InChIKeyGJQQFPGTHXIXLT-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.90
Rot. Bonds3

About ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate

ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate (PubChem CID 143528155) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate
PubChem CID143528155
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Nameethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate
SMILESCC.CCOC(=O)C1(O)CCC(OC)CC1
InChIInChI=1S/C10H18O4.C2H6/c1-3-14-9(11)10(12)6-4-8(13-2)5-7-10;1-2/h8,12H,3-7H2,1-2H3;1-2H3
InChIKeyGJQQFPGTHXIXLT-UHFFFAOYSA-N
XLogP1.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-hydroxy-4-(1,2,2-trifluoroethoxy)cyclohexane-1-carboxylate
CID 68763914
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxycyclohexane-1-carboxylate
CID 157320752
ethyl 1-[hydroxy-(4-methoxycyclohexyl)methyl]-4-methoxycyclohexane-1-carboxylate
CID 68626423
ethyl 4-hydroxy-1-methoxypiperidine-4-carboxylate
CID 59584750
1-amino-4-methoxycyclohexan-1-ol
CID 170572997
ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate
CID 136539242
diethyl 2-(4-methoxycyclohexyl)propanedioate
CID 166470124
ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate
CID 113414624
ethyl (3aR,6aS)-6a-hydroxy-1-methyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate
CID 11735992
ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate
CID 176667443
(1-amino-4-methoxycyclohexyl)methylcarbamic acid
CID 138598418
ethyl 8-methoxy-2,4-dioxo-1-azaspiro[4.5]decane-3-carboxylate
CID 123163602

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate?
The IUPAC name of ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate (CID 143528155) is ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate.
What is the SMILES notation for ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate?
The canonical SMILES for ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate is CC.CCOC(=O)C1(O)CCC(OC)CC1.
What is the InChIKey of ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate?
The InChIKey is GJQQFPGTHXIXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C2H6/c1-3-14-9(11)10(12)6-4-8(13-2)5-7-10;1-2/h8,12H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate?
ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate has a molecular weight of 232.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate is sourced from PubChem (CID 143528155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).