3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol

C15H30O5 — CID 71267956

IUPAC3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol
SMILESCCCCCC1OC(C(O)CC)CC1OCC(O)CO
InChIInChI=1S/C15H30O5/c1-3-5-6-7-13-15(19-10-11(17)9-16)8-14(20-13)12(18)4-2/h11-18H,3-10H2,1-2H3
InChIKeyKYCOQXPEECJZJI-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.23
Rot. Bonds10

About 3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol

3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol (PubChem CID 71267956) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is 3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol.

Molecular Properties

Compound Name3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol
PubChem CID71267956
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Name3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol
SMILESCCCCCC1OC(C(O)CC)CC1OCC(O)CO
InChIInChI=1S/C15H30O5/c1-3-5-6-7-13-15(19-10-11(17)9-16)8-14(20-13)12(18)4-2/h11-18H,3-10H2,1-2H3
InChIKeyKYCOQXPEECJZJI-UHFFFAOYSA-N
XLogP1.23
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;hexane;3-[5-(1-hydroxyethyl)-2-methyloxolan-3-yl]oxypropane-1,2-diol
CID 143470702
(2R,3R,5R)-5-[(1R)-1-hydroxyhexyl]-2-pentyloxolan-3-ol
CID 10777626
(2S,3S,5S)-5-[(1S)-1-hydroxyheptyl]-2-pentyloxolan-3-ol
CID 101465575
(2R,3R,5R)-5-[(1S)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol
CID 53350173
(2S,3S,5R)-5-(1-hydroxydec-9-enyl)-2-pentyloxolan-3-ol
CID 11781945
[(2R,3S,5S)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-yl] benzoate
CID 11101790
methyl 8-[(2S,3R,5R)-3-hydroxy-5-(1-hydroxyhexyl)oxolan-2-yl]octanoate
CID 11221640
[(2S,3S,5R)-2-pentyl-5-[(1R)-1-(2,2,2-trifluoroacetyl)oxyhexyl]oxolan-3-yl] 2,2,2-trifluoroacetate
CID 101365654
(1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol
CID 11177810
1-(3-hexyloxiran-2-yl)hexan-1-ol
CID 123301383
(2S,3R,4S,5S,6R)-2-(2-hydroxyheptoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70127201
(1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol
CID 88654072

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol?
The IUPAC name of 3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol (CID 71267956) is 3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol.
What is the SMILES notation for 3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol?
The canonical SMILES for 3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol is CCCCCC1OC(C(O)CC)CC1OCC(O)CO.
What is the InChIKey of 3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol?
The InChIKey is KYCOQXPEECJZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5/c1-3-5-6-7-13-15(19-10-11(17)9-16)8-14(20-13)12(18)4-2/h11-18H,3-10H2,1-2H3.
What are the key properties of 3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol?
3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol has a molecular weight of 290.40 g/mol, XLogP of 1.23, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-hydroxypropyl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol is sourced from PubChem (CID 71267956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).