(1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol

C14H28O2 — CID 97304791

IUPAC(1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol
SMILESCC[C@@H]([C@@H](O)OC1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-5-12(14(2,3)4)13(15)16-11-9-7-6-8-10-11/h11-13,15H,5-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyHRZAPRPOXOJRII-STQMWFEESA-N
MW228.38 g/mol
LogP3.73
Rot. Bonds4

About (1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol

(1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol (PubChem CID 97304791) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol
PubChem CID97304791
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol
SMILESCC[C@@H]([C@@H](O)OC1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-5-12(14(2,3)4)13(15)16-11-9-7-6-8-10-11/h11-13,15H,5-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyHRZAPRPOXOJRII-STQMWFEESA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 (1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol?
The IUPAC name of (1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol (CID 97304791) is (1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol.
What is the SMILES notation for (1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol?
The canonical SMILES for (1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol is CC[C@@H]([C@@H](O)OC1CCCCC1)C(C)(C)C.
What is the InChIKey of (1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol?
The InChIKey is HRZAPRPOXOJRII-STQMWFEESA-N. The full InChI is InChI=1S/C14H28O2/c1-5-12(14(2,3)4)13(15)16-11-9-7-6-8-10-11/h11-13,15H,5-10H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of (1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol?
(1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-cyclohexyloxy-2-ethyl-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 97304791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).