4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol

C14H30O4 — CID 139459670

IUPAC4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol
SMILESCC(C)OC(C)C(CO)CC(OC(C)C)C(C)O
InChIInChI=1S/C14H30O4/c1-9(2)17-12(6)13(8-15)7-14(11(5)16)18-10(3)4/h9-16H,7-8H2,1-6H3
InChIKeyNHWSVUBPDBVKID-UHFFFAOYSA-N
MW262.39 g/mol
LogP1.97
Rot. Bonds9

About 4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol

4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol (PubChem CID 139459670) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol.

Molecular Properties

Compound Name4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol
PubChem CID139459670
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol
SMILESCC(C)OC(C)C(CO)CC(OC(C)C)C(C)O
InChIInChI=1S/C14H30O4/c1-9(2)17-12(6)13(8-15)7-14(11(5)16)18-10(3)4/h9-16H,7-8H2,1-6H3
InChIKeyNHWSVUBPDBVKID-UHFFFAOYSA-N
XLogP1.97
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-propan-2-yloxypentane-1,3-diol
CID 58078764
(3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol
CID 88926803
(3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol
CID 160617536
4-methoxyhexane-1,2,5-triol
CID 18427201
(2S,3S)-2-ethylbutane-1,3-diol
CID 87152899
3-(2-hydroxypentan-3-yloxy)pentan-2-ol
CID 138539314
ethanol;1-propan-2-yloxyethanol
CID 87638042
(2R,3R)-2-ethylbutane-1,3-diol
CID 130733536
O-(1-propan-2-yloxyethyl) 2,3-dihydroxypropanethioate
CID 19756005
CID 90452338
CID 90452338
2-propan-2-ylpentane-1,4-diol
CID 22619698
(2R)-2-(methoxymethoxy)butane-1,3-diol
CID 87662516

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol?
The IUPAC name of 4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol (CID 139459670) is 4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol.
What is the SMILES notation for 4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol?
The canonical SMILES for 4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol is CC(C)OC(C)C(CO)CC(OC(C)C)C(C)O.
What is the InChIKey of 4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol?
The InChIKey is NHWSVUBPDBVKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-9(2)17-12(6)13(8-15)7-14(11(5)16)18-10(3)4/h9-16H,7-8H2,1-6H3.
What are the key properties of 4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol?
4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol has a molecular weight of 262.39 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol is sourced from PubChem (CID 139459670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).