nonyl 4-methoxycyclohexane-1-carboxylate

C17H32O3 — CID 91695747

IUPACnonyl 4-methoxycyclohexane-1-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCC(OC)CC1
InChIInChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-14-20-17(18)15-10-12-16(19-2)13-11-15/h15-16H,3-14H2,1-2H3
InChIKeyCHGZPZFSWLCDBB-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.49
Rot. Bonds10

About nonyl 4-methoxycyclohexane-1-carboxylate

nonyl 4-methoxycyclohexane-1-carboxylate (PubChem CID 91695747) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is nonyl 4-methoxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namenonyl 4-methoxycyclohexane-1-carboxylate
PubChem CID91695747
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Namenonyl 4-methoxycyclohexane-1-carboxylate
SMILESCCCCCCCCCOC(=O)C1CCC(OC)CC1
InChIInChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-14-20-17(18)15-10-12-16(19-2)13-11-15/h15-16H,3-14H2,1-2H3
InChIKeyCHGZPZFSWLCDBB-UHFFFAOYSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-hydroxycyclohexanecarboxylate
CID 86973
Rac-(1r,4r)-4-methoxycyclohexane-1-carboxylic acid
CID 736153
4-Hydroxy-cyclohexanecarboxylic acid butyl ester
CID 70804341
Dodecyl cyclohexanecarboxylate
CID 582159
4OcHCaAtFcH
CID 21351024
4OcHCaA2cH
CID 21351039
4OcHCaAFcH
CID 21351041
4-(Acetyloxy)cyclohexanecarboxylic acid
CID 759245
Decyl cyclohexanecarboxylate
CID 582158
Methylcyclohexyl laurate
CID 44152546
Rac-(1r,4r)-4-(pentyloxy)cyclohexane-1-carboxylic acid
CID 15491616
4-Ethoxycyclohexane-1-carboxylic acid
CID 21196867

Frequently Asked Questions

What is the IUPAC name of nonyl 4-methoxycyclohexane-1-carboxylate?
The IUPAC name of nonyl 4-methoxycyclohexane-1-carboxylate (CID 91695747) is nonyl 4-methoxycyclohexane-1-carboxylate.
What is the SMILES notation for nonyl 4-methoxycyclohexane-1-carboxylate?
The canonical SMILES for nonyl 4-methoxycyclohexane-1-carboxylate is CCCCCCCCCOC(=O)C1CCC(OC)CC1.
What is the InChIKey of nonyl 4-methoxycyclohexane-1-carboxylate?
The InChIKey is CHGZPZFSWLCDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-14-20-17(18)15-10-12-16(19-2)13-11-15/h15-16H,3-14H2,1-2H3.
What are the key properties of nonyl 4-methoxycyclohexane-1-carboxylate?
nonyl 4-methoxycyclohexane-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 4-methoxycyclohexane-1-carboxylate is sourced from PubChem (CID 91695747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).