1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid

C14H26O3 — CID 114991682

IUPAC1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(OCC(C)C)(C(=O)O)CC1
InChIInChI=1S/C14H26O3/c1-4-5-12-6-8-14(9-7-12,13(15)16)17-10-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyKYQXENVHNAUNQB-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.47
Rot. Bonds6

About 1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid

1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid (PubChem CID 114991682) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid
PubChem CID114991682
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(OCC(C)C)(C(=O)O)CC1
InChIInChI=1S/C14H26O3/c1-4-5-12-6-8-14(9-7-12,13(15)16)17-10-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyKYQXENVHNAUNQB-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropoxy)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 115000233
1-(2-propan-2-yloxyethyl)-4-propylcyclohexane-1-carboxylic acid
CID 65424129
1-formamido-4-propylcyclohexane-1-carboxylic acid
CID 63687820
1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid
CID 79428277
ethyl 2-(1-fluoro-4-propylcyclohexyl)-2-hydroxyacetate
CID 165450789
7-propylspiro[3.5]nonane
CID 144910869
4-propoxy-1-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid
CID 57180748
4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 43163264
(1-ethoxy-4-propylcyclohexyl)methanol
CID 165489983
1-(iodomethyl)-1-(3-methylbutoxy)-4-propylcyclohexane
CID 114772898
1-(methylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088677
1-[(2-methylpropylamino)methyl]-4-propylcyclohexan-1-ol
CID 62774717

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid (CID 114991682) is 1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(OCC(C)C)(C(=O)O)CC1.
What is the InChIKey of 1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is KYQXENVHNAUNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-4-5-12-6-8-14(9-7-12,13(15)16)17-10-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid?
1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 242.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 114991682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).