2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol

C16H34O7 — CID 91141504

IUPAC2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol
SMILESCC(O)COC(C)COC(C)COC(CO)CC(O)CCCO
InChIInChI=1S/C16H34O7/c1-12(19)9-21-13(2)10-22-14(3)11-23-16(8-18)7-15(20)5-4-6-17/h12-20H,4-11H2,1-3H3
InChIKeyNMQVOVAXPPRHBO-UHFFFAOYSA-N
MW338.44 g/mol
LogP0.08
Rot. Bonds15

About 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol

2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol (PubChem CID 91141504) has the molecular formula C16H34O7 and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol
PubChem CID91141504
Molecular FormulaC16H34O7
Molecular Weight338.44 g/mol
Exact Mass338.23
IUPAC Name2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol
SMILESCC(O)COC(C)COC(C)COC(CO)CC(O)CCCO
InChIInChI=1S/C16H34O7/c1-12(19)9-21-13(2)10-22-14(3)11-23-16(8-18)7-15(20)5-4-6-17/h12-20H,4-11H2,1-3H3
InChIKeyNMQVOVAXPPRHBO-UHFFFAOYSA-N
XLogP0.08
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol
CID 87266481
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 175051763
nonane-1,4,6,8-tetrol
CID 57099696
(4S)-6-methylheptane-1,4-diol
CID 88522325
ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 173215774
2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol
CID 171403130
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 22918050

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol?
The IUPAC name of 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol (CID 91141504) is 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol.
What is the SMILES notation for 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol?
The canonical SMILES for 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol is CC(O)COC(C)COC(C)COC(CO)CC(O)CCCO.
What is the InChIKey of 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol?
The InChIKey is NMQVOVAXPPRHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O7/c1-12(19)9-21-13(2)10-22-14(3)11-23-16(8-18)7-15(20)5-4-6-17/h12-20H,4-11H2,1-3H3.
What are the key properties of 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol?
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol has a molecular weight of 338.44 g/mol, XLogP of 0.08, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol is sourced from PubChem (CID 91141504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).