6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol

C16H34O5 — CID 106802733

IUPAC6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol
SMILESCCCCOCCOCCOCCOCCCC(O)CC
InChIInChI=1S/C16H34O5/c1-3-5-8-18-10-12-20-14-15-21-13-11-19-9-6-7-16(17)4-2/h16-17H,3-15H2,1-2H3
InChIKeyLJYZGHWHEAPPJH-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.40
Rot. Bonds17

About 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol

6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol (PubChem CID 106802733) has the molecular formula C16H34O5 and a molecular weight of 306.44 g/mol. Its IUPAC name is 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol.

Molecular Properties

Compound Name6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol
PubChem CID106802733
Molecular FormulaC16H34O5
Molecular Weight306.44 g/mol
Exact Mass306.24
IUPAC Name6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol
SMILESCCCCOCCOCCOCCOCCCC(O)CC
InChIInChI=1S/C16H34O5/c1-3-5-8-18-10-12-20-14-15-21-13-11-19-9-6-7-16(17)4-2/h16-17H,3-15H2,1-2H3
InChIKeyLJYZGHWHEAPPJH-UHFFFAOYSA-N
XLogP2.40
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol
CID 104565835
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexan-3-ol
CID 106802730
1,19-dibutoxynonadecan-10-ol
CID 129293593
1-butoxybutane;propane-1,1-diol
CID 87222669
(2R)-1-butoxybutan-2-ol
CID 27255938
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
12-(7-hydroxydodecoxy)dodecan-6-ol
CID 90689628
3-(2-butoxyethoxy)-1-chloropropan-1-ol
CID 175308716
butane-2,3-diol;1-butoxybutane
CID 87169993
icosan-3-ol
CID 14940768
ethane;heptan-3-ol;yttrium
CID 178141983

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol?
The IUPAC name of 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol (CID 106802733) is 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol.
What is the SMILES notation for 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol?
The canonical SMILES for 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol is CCCCOCCOCCOCCOCCCC(O)CC.
What is the InChIKey of 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol?
The InChIKey is LJYZGHWHEAPPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O5/c1-3-5-8-18-10-12-20-14-15-21-13-11-19-9-6-7-16(17)4-2/h16-17H,3-15H2,1-2H3.
What are the key properties of 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol?
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol has a molecular weight of 306.44 g/mol, XLogP of 2.40, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol is sourced from PubChem (CID 106802733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).