3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol

C9H18O3 — CID 173222430

IUPAC3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol
SMILESCC=C(C)C(C)OCC(O)CO
InChIInChI=1S/C9H18O3/c1-4-7(2)8(3)12-6-9(11)5-10/h4,8-11H,5-6H2,1-3H3
InChIKeyMJAMFTMOEHEDDJ-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.71
Rot. Bonds5

About 3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol

3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol (PubChem CID 173222430) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol
PubChem CID173222430
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol
SMILESCC=C(C)C(C)OCC(O)CO
InChIInChI=1S/C9H18O3/c1-4-7(2)8(3)12-6-9(11)5-10/h4,8-11H,5-6H2,1-3H3
InChIKeyMJAMFTMOEHEDDJ-UHFFFAOYSA-N
XLogP0.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[1-(2,3-dihydroxypropoxy)ethoxy]ethoxy]propane-1,2-diol
CID 87843229
3-(1-hydroxybut-2-enoxy)propane-1,2-diol
CID 91071629
3-methyl-4-propoxypent-2-ene
CID 56990973
3-(4-hydroxypentan-2-yloxy)propane-1,2-diol
CID 126566671
1-[(2S)-2,3-dihydroxypropoxy]-1-hydroxypropan-2-one
CID 174650131
3-(3-hydroxypentan-2-yloxy)propane-1,2-diol
CID 123265934
2-(2,3-dihydroxypropoxy)propanenitrile
CID 54069244
3-methyl-4-pentoxypent-2-ene
CID 57157343
(2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol
CID 131246750
3-(2-hydroxy-2,5-dimethylhex-4-en-3-yl)oxypropane-1,2-diol
CID 174900159
(2R,3S,4S,5R)-2-(2,3-dihydroxypropoxy)-3,4,5-trihydroxyhexanal
CID 54375315
N-[(2R)-2,3-dihydroxypropoxy]-2-methylpropanamide
CID 130438480

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol?
The IUPAC name of 3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol (CID 173222430) is 3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol.
What is the SMILES notation for 3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol?
The canonical SMILES for 3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol is CC=C(C)C(C)OCC(O)CO.
What is the InChIKey of 3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol?
The InChIKey is MJAMFTMOEHEDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-7(2)8(3)12-6-9(11)5-10/h4,8-11H,5-6H2,1-3H3.
What are the key properties of 3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol?
3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol has a molecular weight of 174.24 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol is sourced from PubChem (CID 173222430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).