(3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol

C11H22O2 — CID 58469090

IUPAC(3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol
SMILESCC(C)[C@H](OC1CCC1)C(C)(C)O
InChIInChI=1S/C11H22O2/c1-8(2)10(11(3,4)12)13-9-6-5-7-9/h8-10,12H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyARXTXUNMHZTTAJ-JTQLQIEISA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds4

About (3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol

(3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol (PubChem CID 58469090) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name(3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol
PubChem CID58469090
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol
SMILESCC(C)[C@H](OC1CCC1)C(C)(C)O
InChIInChI=1S/C11H22O2/c1-8(2)10(11(3,4)12)13-9-6-5-7-9/h8-10,12H,5-7H2,1-4H3/t10-/m0/s1
InChIKeyARXTXUNMHZTTAJ-JTQLQIEISA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol?
The IUPAC name of (3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol (CID 58469090) is (3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol.
What is the SMILES notation for (3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol?
The canonical SMILES for (3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol is CC(C)[C@H](OC1CCC1)C(C)(C)O.
What is the InChIKey of (3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol?
The InChIKey is ARXTXUNMHZTTAJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22O2/c1-8(2)10(11(3,4)12)13-9-6-5-7-9/h8-10,12H,5-7H2,1-4H3/t10-/m0/s1.
What are the key properties of (3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol?
(3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol has a molecular weight of 186.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclobutyloxy-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 58469090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).