(2R)-1-butoxybutan-2-ol

C8H18O2 — CID 27255938

IUPAC(2R)-1-butoxybutan-2-ol
SMILESCCCCOC[C@H](O)CC
InChIInChI=1S/C8H18O2/c1-3-5-6-10-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyGZEYORSRDNLAPB-MRVPVSSYSA-N
MW146.23 g/mol
LogP1.57
Rot. Bonds6

About (2R)-1-butoxybutan-2-ol

(2R)-1-butoxybutan-2-ol (PubChem CID 27255938) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is (2R)-1-butoxybutan-2-ol.

Molecular Properties

Compound Name(2R)-1-butoxybutan-2-ol
PubChem CID27255938
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name(2R)-1-butoxybutan-2-ol
SMILESCCCCOC[C@H](O)CC
InChIInChI=1S/C8H18O2/c1-3-5-6-10-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyGZEYORSRDNLAPB-MRVPVSSYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-octoxybutan-2-ol
CID 88988399
1-icosoxybutan-2-ol
CID 58176389
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667
(2S)-1-butoxy-3-chloropropan-2-ol
CID 36688277
(2R)-1-fluoro-3-pentoxypropan-2-ol
CID 55250339
1-fluoro-3-nonoxypropan-2-ol
CID 139708466
1-fluoro-3-tridecoxypropan-2-ol
CID 139708468
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
(2S)-1-(2-butoxyethoxy)-3-chloropropan-2-ol
CID 40610659

Frequently Asked Questions

What is the IUPAC name of (2R)-1-butoxybutan-2-ol?
The IUPAC name of (2R)-1-butoxybutan-2-ol (CID 27255938) is (2R)-1-butoxybutan-2-ol.
What is the SMILES notation for (2R)-1-butoxybutan-2-ol?
The canonical SMILES for (2R)-1-butoxybutan-2-ol is CCCCOC[C@H](O)CC.
What is the InChIKey of (2R)-1-butoxybutan-2-ol?
The InChIKey is GZEYORSRDNLAPB-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18O2/c1-3-5-6-10-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-butoxybutan-2-ol?
(2R)-1-butoxybutan-2-ol has a molecular weight of 146.23 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butoxybutan-2-ol is sourced from PubChem (CID 27255938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).