(3S)-2,4-dimethyl-3-propoxypentan-2-ol

C10H22O2 — CID 58469720

IUPAC(3S)-2,4-dimethyl-3-propoxypentan-2-ol
SMILESCCCO[C@@H](C(C)C)C(C)(C)O
InChIInChI=1S/C10H22O2/c1-6-7-12-9(8(2)3)10(4,5)11/h8-9,11H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyBAHWDLHVDOYEBM-VIFPVBQESA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds5

About (3S)-2,4-dimethyl-3-propoxypentan-2-ol

(3S)-2,4-dimethyl-3-propoxypentan-2-ol (PubChem CID 58469720) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is (3S)-2,4-dimethyl-3-propoxypentan-2-ol.

Molecular Properties

Compound Name(3S)-2,4-dimethyl-3-propoxypentan-2-ol
PubChem CID58469720
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name(3S)-2,4-dimethyl-3-propoxypentan-2-ol
SMILESCCCO[C@@H](C(C)C)C(C)(C)O
InChIInChI=1S/C10H22O2/c1-6-7-12-9(8(2)3)10(4,5)11/h8-9,11H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyBAHWDLHVDOYEBM-VIFPVBQESA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[2-(dimethylamino)ethoxy]-2,4-dimethylpentan-2-ol
CID 89424025
(3S)-2,4-dimethyl-3-[(2-methylpropan-2-yl)oxy]pentan-2-ol
CID 58468925
(2R,3R)-2,3-dipropoxybutane
CID 118445331
2,2,6-trimethyl-3-propoxyheptan-4-one
CID 59143515
2-methyl-2-(methylamino)-4-propoxypentan-1-ol
CID 64808553
magnesium;hydride;1-propoxyethanol
CID 174529104
CID 123186156
CID 123186156
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
(3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol
CID 58469119
(4R)-4-propoxypentan-1-ol
CID 54320299
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
3-ethoxy-4,4-dimethyl-1-propoxypentan-2-ol
CID 116713479

Frequently Asked Questions

What is the IUPAC name of (3S)-2,4-dimethyl-3-propoxypentan-2-ol?
The IUPAC name of (3S)-2,4-dimethyl-3-propoxypentan-2-ol (CID 58469720) is (3S)-2,4-dimethyl-3-propoxypentan-2-ol.
What is the SMILES notation for (3S)-2,4-dimethyl-3-propoxypentan-2-ol?
The canonical SMILES for (3S)-2,4-dimethyl-3-propoxypentan-2-ol is CCCO[C@@H](C(C)C)C(C)(C)O.
What is the InChIKey of (3S)-2,4-dimethyl-3-propoxypentan-2-ol?
The InChIKey is BAHWDLHVDOYEBM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22O2/c1-6-7-12-9(8(2)3)10(4,5)11/h8-9,11H,6-7H2,1-5H3/t9-/m0/s1.
What are the key properties of (3S)-2,4-dimethyl-3-propoxypentan-2-ol?
(3S)-2,4-dimethyl-3-propoxypentan-2-ol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 5 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-propoxypentan-2-ol is sourced from PubChem (CID 58469720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).