1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol

C14H28O2 — CID 147950390

IUPAC1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol
SMILESCC(C)(C)C(C)(C)C(O)OC1CCCCC1
InChIInChI=1S/C14H28O2/c1-13(2,3)14(4,5)12(15)16-11-9-7-6-8-10-11/h11-12,15H,6-10H2,1-5H3
InChIKeyINMOGTSAUAPNNO-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.73
Rot. Bonds3

About 1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol

1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol (PubChem CID 147950390) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol
PubChem CID147950390
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol
SMILESCC(C)(C)C(C)(C)C(O)OC1CCCCC1
InChIInChI=1S/C14H28O2/c1-13(2,3)14(4,5)12(15)16-11-9-7-6-8-10-11/h11-12,15H,6-10H2,1-5H3
InChIKeyINMOGTSAUAPNNO-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol?
The IUPAC name of 1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol (CID 147950390) is 1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol.
What is the SMILES notation for 1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol?
The canonical SMILES for 1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol is CC(C)(C)C(C)(C)C(O)OC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol?
The InChIKey is INMOGTSAUAPNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-13(2,3)14(4,5)12(15)16-11-9-7-6-8-10-11/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol?
1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-2,2,3,3-tetramethylbutan-1-ol is sourced from PubChem (CID 147950390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).