propan-2-yl 4-butylcyclohexane-1-carboxylate

C14H26O2 — CID 60643355

IUPACpropan-2-yl 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OC(C)C)CC1
InChIInChI=1S/C14H26O2/c1-4-5-6-12-7-9-13(10-8-12)14(15)16-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyFWAKTGRDWUSTQE-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.93
Rot. Bonds5

About propan-2-yl 4-butylcyclohexane-1-carboxylate

propan-2-yl 4-butylcyclohexane-1-carboxylate (PubChem CID 60643355) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is propan-2-yl 4-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-butylcyclohexane-1-carboxylate
PubChem CID60643355
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Namepropan-2-yl 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OC(C)C)CC1
InChIInChI=1S/C14H26O2/c1-4-5-6-12-7-9-13(10-8-12)14(15)16-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyFWAKTGRDWUSTQE-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze propan-2-yl 4-butylcyclohexane-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

[(2R)-octan-2-yl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 18604859
propan-2-yl cyclopropanecarboxylate
CID 550170
propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate
CID 56551069
bis[1-(4-butylcyclohexyl)ethyl] carbonate
CID 141418629
4-O-propan-2-yl 1-O-undecyl cyclohexane-1,4-dicarboxylate
CID 90870155
prop-2-enyl 4-butylcyclohexane-1-carboxylate
CID 139948297
4-O-propan-2-yl 1-O-tridecyl cyclohexane-1,4-dicarboxylate
CID 91412233
[(2S)-pentan-2-yl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 70455312
[4-(4-butylcyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate
CID 71130129
4-(4-pentylcyclohexyl)pentyl 4-butylcyclohexane-1-carboxylate
CID 23334914
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754
(4-pentylcyclohexyl) 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate
CID 23334527

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-butylcyclohexane-1-carboxylate?
The IUPAC name of propan-2-yl 4-butylcyclohexane-1-carboxylate (CID 60643355) is propan-2-yl 4-butylcyclohexane-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-butylcyclohexane-1-carboxylate?
The canonical SMILES for propan-2-yl 4-butylcyclohexane-1-carboxylate is CCCCC1CCC(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-butylcyclohexane-1-carboxylate?
The InChIKey is FWAKTGRDWUSTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-5-6-12-7-9-13(10-8-12)14(15)16-11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of propan-2-yl 4-butylcyclohexane-1-carboxylate?
propan-2-yl 4-butylcyclohexane-1-carboxylate has a molecular weight of 226.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 60643355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).