1-(butoxymethoxy)propan-2-ol

C8H18O3 — CID 131855718

IUPAC1-(butoxymethoxy)propan-2-ol
SMILESCCCCOCOCC(C)O
InChIInChI=1S/C8H18O3/c1-3-4-5-10-7-11-6-8(2)9/h8-9H,3-7H2,1-2H3
InChIKeyYELXBEBISLQGQJ-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.16
Rot. Bonds7

About 1-(butoxymethoxy)propan-2-ol

1-(butoxymethoxy)propan-2-ol (PubChem CID 131855718) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-(butoxymethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(butoxymethoxy)propan-2-ol
PubChem CID131855718
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name1-(butoxymethoxy)propan-2-ol
SMILESCCCCOCOCC(C)O
InChIInChI=1S/C8H18O3/c1-3-4-5-10-7-11-6-8(2)9/h8-9H,3-7H2,1-2H3
InChIKeyYELXBEBISLQGQJ-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-butoxypropan-2-ol
CID 54289557
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
1-butoxypropan-2-ol;ethane-1,2-diol;ethene
CID 161226770
1-butoxypropan-2-ol;propanoic acid
CID 87504807
butane-2,3-diol;1-butoxybutane
CID 87169993
1-(3-butoxypropoxy)butane;propane-1,2-diol
CID 87596955
4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol
CID 172545297
tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol
CID 175381751
4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol
CID 172545315
4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol
CID 172545168

Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethoxy)propan-2-ol?
The IUPAC name of 1-(butoxymethoxy)propan-2-ol (CID 131855718) is 1-(butoxymethoxy)propan-2-ol.
What is the SMILES notation for 1-(butoxymethoxy)propan-2-ol?
The canonical SMILES for 1-(butoxymethoxy)propan-2-ol is CCCCOCOCC(C)O.
What is the InChIKey of 1-(butoxymethoxy)propan-2-ol?
The InChIKey is YELXBEBISLQGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-3-4-5-10-7-11-6-8(2)9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(butoxymethoxy)propan-2-ol?
1-(butoxymethoxy)propan-2-ol has a molecular weight of 162.23 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethoxy)propan-2-ol is sourced from PubChem (CID 131855718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).