(2R)-1-butoxy-3-methoxypropan-2-ol

C8H18O3 — CID 89035731

IUPAC(2R)-1-butoxy-3-methoxypropan-2-ol
SMILESCCCCOC[C@H](O)COC
InChIInChI=1S/C8H18O3/c1-3-4-5-11-7-8(9)6-10-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyPDOHSQUJDZJZOJ-MRVPVSSYSA-N
MW162.23 g/mol
LogP0.81
Rot. Bonds7

About (2R)-1-butoxy-3-methoxypropan-2-ol

(2R)-1-butoxy-3-methoxypropan-2-ol (PubChem CID 89035731) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is (2R)-1-butoxy-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-butoxy-3-methoxypropan-2-ol
PubChem CID89035731
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name(2R)-1-butoxy-3-methoxypropan-2-ol
SMILESCCCCOC[C@H](O)COC
InChIInChI=1S/C8H18O3/c1-3-4-5-11-7-8(9)6-10-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyPDOHSQUJDZJZOJ-MRVPVSSYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
(2R)-1-butoxybutan-2-ol
CID 27255938
(2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol
CID 91608412
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667
(2S)-1-butoxy-3-chloropropan-2-ol
CID 36688277
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
1-methoxypropane;1-methoxy-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 90896720
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774
4-[(3-butoxy-2-hydroxypropyl)amino]-1-methoxybutan-2-ol
CID 106246483
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
1-methoxy-5-propoxypentan-2-ol
CID 106455960

Frequently Asked Questions

What is the IUPAC name of (2R)-1-butoxy-3-methoxypropan-2-ol?
The IUPAC name of (2R)-1-butoxy-3-methoxypropan-2-ol (CID 89035731) is (2R)-1-butoxy-3-methoxypropan-2-ol.
What is the SMILES notation for (2R)-1-butoxy-3-methoxypropan-2-ol?
The canonical SMILES for (2R)-1-butoxy-3-methoxypropan-2-ol is CCCCOC[C@H](O)COC.
What is the InChIKey of (2R)-1-butoxy-3-methoxypropan-2-ol?
The InChIKey is PDOHSQUJDZJZOJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18O3/c1-3-4-5-11-7-8(9)6-10-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-butoxy-3-methoxypropan-2-ol?
(2R)-1-butoxy-3-methoxypropan-2-ol has a molecular weight of 162.23 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butoxy-3-methoxypropan-2-ol is sourced from PubChem (CID 89035731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).