2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol

C14H30O5 — CID 91218180

IUPAC2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol
SMILESCCCCOCCOCC(O)C(CO)OCCCC
InChIInChI=1S/C14H30O5/c1-3-5-7-17-9-10-18-12-13(16)14(11-15)19-8-6-4-2/h13-16H,3-12H2,1-2H3
InChIKeyCIJAADUJCUDMJY-UHFFFAOYSA-N
MW278.39 g/mol
LogP1.36
Rot. Bonds14

About 2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol

2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol (PubChem CID 91218180) has the molecular formula C14H30O5 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol.

Molecular Properties

Compound Name2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol
PubChem CID91218180
Molecular FormulaC14H30O5
Molecular Weight278.39 g/mol
Exact Mass278.21
IUPAC Name2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol
SMILESCCCCOCCOCC(O)C(CO)OCCCC
InChIInChI=1S/C14H30O5/c1-3-5-7-17-9-10-18-12-13(16)14(11-15)19-8-6-4-2/h13-16H,3-12H2,1-2H3
InChIKeyCIJAADUJCUDMJY-UHFFFAOYSA-N
XLogP1.36
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2,4-di(nonoxy)butane-1,3-diol
CID 175531574
4,5,6-tripentoxyhexane-1,2,3-triol
CID 88729253
5-tetradecoxy-3-tridecoxypentane-1,2-diol
CID 122611763
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
(2S,3S,4S,5R)-2,5-di(nonoxy)hexane-1,3,4,6-tetrol
CID 175531662
2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol
CID 104567836
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
3-hexadecoxy-2-octadecoxypropan-1-ol;phosphane
CID 174930808

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol?
The IUPAC name of 2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol (CID 91218180) is 2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol.
What is the SMILES notation for 2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol?
The canonical SMILES for 2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol is CCCCOCCOCC(O)C(CO)OCCCC.
What is the InChIKey of 2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol?
The InChIKey is CIJAADUJCUDMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5/c1-3-5-7-17-9-10-18-12-13(16)14(11-15)19-8-6-4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol?
2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol has a molecular weight of 278.39 g/mol, XLogP of 1.36, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4-(2-butoxyethoxy)butane-1,3-diol is sourced from PubChem (CID 91218180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).