decyl 4-methoxycyclohexane-1-carboxylate

C18H34O3 — CID 91695748

IUPACdecyl 4-methoxycyclohexane-1-carboxylate
SMILESCCCCCCCCCCOC(=O)C1CCC(OC)CC1
InChIInChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-15-21-18(19)16-11-13-17(20-2)14-12-16/h16-17H,3-15H2,1-2H3
InChIKeyBINAGPMVIOPJMM-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.88
Rot. Bonds11

About decyl 4-methoxycyclohexane-1-carboxylate

decyl 4-methoxycyclohexane-1-carboxylate (PubChem CID 91695748) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is decyl 4-methoxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namedecyl 4-methoxycyclohexane-1-carboxylate
PubChem CID91695748
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Namedecyl 4-methoxycyclohexane-1-carboxylate
SMILESCCCCCCCCCCOC(=O)C1CCC(OC)CC1
InChIInChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-15-21-18(19)16-11-13-17(20-2)14-12-16/h16-17H,3-15H2,1-2H3
InChIKeyBINAGPMVIOPJMM-UHFFFAOYSA-N
XLogP4.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.88
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 decyl 4-methoxycyclohexane-1-carboxylate?
The IUPAC name of decyl 4-methoxycyclohexane-1-carboxylate (CID 91695748) is decyl 4-methoxycyclohexane-1-carboxylate.
What is the SMILES notation for decyl 4-methoxycyclohexane-1-carboxylate?
The canonical SMILES for decyl 4-methoxycyclohexane-1-carboxylate is CCCCCCCCCCOC(=O)C1CCC(OC)CC1.
What is the InChIKey of decyl 4-methoxycyclohexane-1-carboxylate?
The InChIKey is BINAGPMVIOPJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-15-21-18(19)16-11-13-17(20-2)14-12-16/h16-17H,3-15H2,1-2H3.
What are the key properties of decyl 4-methoxycyclohexane-1-carboxylate?
decyl 4-methoxycyclohexane-1-carboxylate has a molecular weight of 298.47 g/mol, XLogP of 4.88, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 4-methoxycyclohexane-1-carboxylate is sourced from PubChem (CID 91695748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).