1-tert-butyl-4-(propoxymethyl)cyclohexane

C14H28O — CID 123879398

IUPAC1-tert-butyl-4-(propoxymethyl)cyclohexane
SMILESCCCOCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28O/c1-5-10-15-11-12-6-8-13(9-7-12)14(2,3)4/h12-13H,5-11H2,1-4H3
InChIKeyAGUXIOBNXVMPDG-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.27
Rot. Bonds4

About 1-tert-butyl-4-(propoxymethyl)cyclohexane

1-tert-butyl-4-(propoxymethyl)cyclohexane (PubChem CID 123879398) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-tert-butyl-4-(propoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-(propoxymethyl)cyclohexane
PubChem CID123879398
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-tert-butyl-4-(propoxymethyl)cyclohexane
SMILESCCCOCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28O/c1-5-10-15-11-12-6-8-13(9-7-12)14(2,3)4/h12-13H,5-11H2,1-4H3
InChIKeyAGUXIOBNXVMPDG-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dodecoxymethylcyclopropane;methane;tetradecoxymethylcyclopropane;tridecoxymethylcyclopropane
CID 161458556
N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
1-tert-butyl-4-[(4-tert-butylcyclohexyl)methyl]cyclohexane
CID 59934768
1-[(E)-hex-3-enyl]-4-[4-(propoxymethyl)cyclohexyl]cyclohexane
CID 67898628
1-tert-butyl-4-tetradecylcyclohexane
CID 71420445
1-tert-butyl-4-[2-[[4-(2,2,5-trimethylhexan-3-yl)cyclohexyl]methoxy]ethoxy]cyclohexane
CID 123395782
1-[4-(2-fluoroethyl)cyclohexyl]-4-[4-[4-(propoxymethyl)cyclohexyl]phenyl]benzene
CID 21265269
1-methyl-3-(propoxymethyl)piperidine
CID 148501632
1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 67843719
[4-(propoxymethyl)piperidin-1-yl]methanamine
CID 155739261
N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine
CID 106327957
1-tert-butyl-4-methylcyclohexane;methane;propane
CID 143180691

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(propoxymethyl)cyclohexane?
The IUPAC name of 1-tert-butyl-4-(propoxymethyl)cyclohexane (CID 123879398) is 1-tert-butyl-4-(propoxymethyl)cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-(propoxymethyl)cyclohexane?
The canonical SMILES for 1-tert-butyl-4-(propoxymethyl)cyclohexane is CCCOCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(propoxymethyl)cyclohexane?
The InChIKey is AGUXIOBNXVMPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-5-10-15-11-12-6-8-13(9-7-12)14(2,3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(propoxymethyl)cyclohexane?
1-tert-butyl-4-(propoxymethyl)cyclohexane has a molecular weight of 212.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(propoxymethyl)cyclohexane is sourced from PubChem (CID 123879398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).