(2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol

C14H28O2 — CID 71418061

IUPAC(2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol
SMILESCC[C@H](O)COC1C(C)(C)CCCC1(C)C
InChIInChI=1S/C14H28O2/c1-6-11(15)10-16-12-13(2,3)8-7-9-14(12,4)5/h11-12,15H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyHGNUYUYKOXNMOK-NSHDSACASA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds4

About (2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol

(2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol (PubChem CID 71418061) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol
PubChem CID71418061
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol
SMILESCC[C@H](O)COC1C(C)(C)CCCC1(C)C
InChIInChI=1S/C14H28O2/c1-6-11(15)10-16-12-13(2,3)8-7-9-14(12,4)5/h11-12,15H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyHGNUYUYKOXNMOK-NSHDSACASA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol?
The IUPAC name of (2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol (CID 71418061) is (2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol.
What is the SMILES notation for (2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol?
The canonical SMILES for (2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol is CC[C@H](O)COC1C(C)(C)CCCC1(C)C.
What is the InChIKey of (2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol?
The InChIKey is HGNUYUYKOXNMOK-NSHDSACASA-N. The full InChI is InChI=1S/C14H28O2/c1-6-11(15)10-16-12-13(2,3)8-7-9-14(12,4)5/h11-12,15H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of (2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol?
(2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2,6,6-tetramethylcyclohexyl)oxybutan-2-ol is sourced from PubChem (CID 71418061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).