propyl 4-methoxycyclohexane-1-carboxylate

C11H20O3 — CID 91695741

IUPACpropyl 4-methoxycyclohexane-1-carboxylate
SMILESCCCOC(=O)C1CCC(OC)CC1
InChIInChI=1S/C11H20O3/c1-3-8-14-11(12)9-4-6-10(13-2)7-5-9/h9-10H,3-8H2,1-2H3
InChIKeyUTFGJWBPBDQEDK-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds4

About propyl 4-methoxycyclohexane-1-carboxylate

propyl 4-methoxycyclohexane-1-carboxylate (PubChem CID 91695741) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is propyl 4-methoxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-methoxycyclohexane-1-carboxylate
PubChem CID91695741
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namepropyl 4-methoxycyclohexane-1-carboxylate
SMILESCCCOC(=O)C1CCC(OC)CC1
InChIInChI=1S/C11H20O3/c1-3-8-14-11(12)9-4-6-10(13-2)7-5-9/h9-10H,3-8H2,1-2H3
InChIKeyUTFGJWBPBDQEDK-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-hydroxycyclohexanecarboxylate
CID 86973
Rac-(1r,4r)-4-methoxycyclohexane-1-carboxylic acid
CID 736153
7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 2-ethylhexyl ester
CID 112475
10-Methyldodecan-5-olide
CID 21778196
Methyl 4-hydroxycyclohexanecarboxylate
CID 87117
6-Ethyltetrahydro-3,5-dimethyl-2H-pyran-2-one
CID 14015767
4-Hydroxy-cyclohexanecarboxylic acid butyl ester
CID 70804341
Ethyl 1-oxaspiro(2.5)octane-6-carboxylate
CID 45588272
4OcHCaAtFcH
CID 21351024
4OcHCaA2cH
CID 21351039
4OcHCaAFcH
CID 21351041
(3s,5r,6s)-3,5-Dimethyl-6-(methylethyl)-3,4,5,6-tetrahydropyran-2-one
CID 10012333

Frequently Asked Questions

What is the IUPAC name of propyl 4-methoxycyclohexane-1-carboxylate?
The IUPAC name of propyl 4-methoxycyclohexane-1-carboxylate (CID 91695741) is propyl 4-methoxycyclohexane-1-carboxylate.
What is the SMILES notation for propyl 4-methoxycyclohexane-1-carboxylate?
The canonical SMILES for propyl 4-methoxycyclohexane-1-carboxylate is CCCOC(=O)C1CCC(OC)CC1.
What is the InChIKey of propyl 4-methoxycyclohexane-1-carboxylate?
The InChIKey is UTFGJWBPBDQEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-8-14-11(12)9-4-6-10(13-2)7-5-9/h9-10H,3-8H2,1-2H3.
What are the key properties of propyl 4-methoxycyclohexane-1-carboxylate?
propyl 4-methoxycyclohexane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-methoxycyclohexane-1-carboxylate is sourced from PubChem (CID 91695741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).