ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid

C12H24O3 — CID 145213044

IUPACethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid
SMILESCC.COCC1CCC(CC(=O)O)CC1
InChIInChI=1S/C10H18O3.C2H6/c1-13-7-9-4-2-8(3-5-9)6-10(11)12;1-2/h8-9H,2-7H2,1H3,(H,11,12);1-2H3
InChIKeyBCRNEZPLOXQPND-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.94
Rot. Bonds4

About ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid

ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid (PubChem CID 145213044) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Nameethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid
PubChem CID145213044
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Nameethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid
SMILESCC.COCC1CCC(CC(=O)O)CC1
InChIInChI=1S/C10H18O3.C2H6/c1-13-7-9-4-2-8(3-5-9)6-10(11)12;1-2/h8-9H,2-7H2,1H3,(H,11,12);1-2H3
InChIKeyBCRNEZPLOXQPND-UHFFFAOYSA-N
XLogP2.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Anteisopentadecanoic Acid
CID 21672
(R)-(-)-2-propyloctanoic acid
CID 208925
Ethyl cyclohexane propionate
CID 61466
Dimethyl 1,4-cyclohexanedicarboxylate
CID 7198
Ethyl cyclohexylacetate
CID 21595
4-Methylnonanoic acid
CID 62003
8-Methyldecanoic acid
CID 21813
Cyclohexanepropanoic acid
CID 69702
4-Pentylcyclohexanecarboxylic Acid
CID 98882
4-Methyldecanoic acid
CID 459849
2-Butyloctanoic acid
CID 33970
Cyclohexanebutanoic acid
CID 75200

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid?
The IUPAC name of ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid (CID 145213044) is ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid.
What is the SMILES notation for ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid?
The canonical SMILES for ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid is CC.COCC1CCC(CC(=O)O)CC1.
What is the InChIKey of ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid?
The InChIKey is BCRNEZPLOXQPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3.C2H6/c1-13-7-9-4-2-8(3-5-9)6-10(11)12;1-2/h8-9H,2-7H2,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid?
ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid has a molecular weight of 216.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 145213044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).