1-(4-tert-butylcyclohexyl)-2-propoxyethanol

C15H30O2 — CID 79567749

IUPAC1-(4-tert-butylcyclohexyl)-2-propoxyethanol
SMILESCCCOCC(O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30O2/c1-5-10-17-11-14(16)12-6-8-13(9-7-12)15(2,3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyBGEKLOWTCDBGIT-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-tert-butylcyclohexyl)-2-propoxyethanol

1-(4-tert-butylcyclohexyl)-2-propoxyethanol (PubChem CID 79567749) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-propoxyethanol
PubChem CID79567749
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1-(4-tert-butylcyclohexyl)-2-propoxyethanol
SMILESCCCOCC(O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30O2/c1-5-10-17-11-14(16)12-6-8-13(9-7-12)15(2,3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyBGEKLOWTCDBGIT-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-tert-butylcyclohexyl)-2-propoxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-propoxyethanol?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-propoxyethanol (CID 79567749) is 1-(4-tert-butylcyclohexyl)-2-propoxyethanol.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-propoxyethanol?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-propoxyethanol is CCCOCC(O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-propoxyethanol?
The InChIKey is BGEKLOWTCDBGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-5-10-17-11-14(16)12-6-8-13(9-7-12)15(2,3)4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-propoxyethanol?
1-(4-tert-butylcyclohexyl)-2-propoxyethanol has a molecular weight of 242.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-propoxyethanol is sourced from PubChem (CID 79567749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).