(3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol

C11H24O2 — CID 58468925

IUPAC(3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol
SMILESCC(C)[C@H](OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C11H24O2/c1-8(2)9(11(6,7)12)13-10(3,4)5/h8-9,12H,1-7H3/t9-/m0/s1
InChIKeyNRWDIDYPBZTEAO-VIFPVBQESA-N
MW188.31 g/mol
LogP2.60
Rot. Bonds3

About (3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol

(3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol (PubChem CID 58468925) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is (3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol.

Molecular Properties

Compound Name(3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol
PubChem CID58468925
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name(3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol
SMILESCC(C)[C@H](OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C11H24O2/c1-8(2)9(11(6,7)12)13-10(3,4)5/h8-9,12H,1-7H3/t9-/m0/s1
InChIKeyNRWDIDYPBZTEAO-VIFPVBQESA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol?
The IUPAC name of (3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol (CID 58468925) is (3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol.
What is the SMILES notation for (3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol?
The canonical SMILES for (3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol is CC(C)[C@H](OC(C)(C)C)C(C)(C)O.
What is the InChIKey of (3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol?
The InChIKey is NRWDIDYPBZTEAO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24O2/c1-8(2)9(11(6,7)12)13-10(3,4)5/h8-9,12H,1-7H3/t9-/m0/s1.
What are the key properties of (3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol?
(3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol is sourced from PubChem (CID 58468925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).