pentane;propane-1,2-diol

C8H20O2 — CID 88731847

IUPACpentane;propane-1,2-diol
SMILESCC(O)CO.CCCCC
InChIInChI=1S/C5H12.C3H8O2/c1-3-5-4-2;1-3(5)2-4/h3-5H2,1-2H3;3-5H,2H2,1H3
InChIKeyZCTUPAANGGHWFK-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.56
Rot. Bonds3

About pentane;propane-1,2-diol

pentane;propane-1,2-diol (PubChem CID 88731847) has the molecular formula C8H20O2 and a molecular weight of 148.25 g/mol. Its IUPAC name is pentane;propane-1,2-diol.

Molecular Properties

Compound Namepentane;propane-1,2-diol
PubChem CID88731847
Molecular FormulaC8H20O2
Molecular Weight148.25 g/mol
Exact Mass148.15
IUPAC Namepentane;propane-1,2-diol
SMILESCC(O)CO.CCCCC
InChIInChI=1S/C5H12.C3H8O2/c1-3-5-4-2;1-3(5)2-4/h3-5H2,1-2H3;3-5H,2H2,1H3
InChIKeyZCTUPAANGGHWFK-UHFFFAOYSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

butan-2-ol;pentane
CID 87560104
propane-1,2-diol
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1-(3-butoxypropoxy)butane;propane-1,2-diol
CID 87596955
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
hexadecan-5-ol;propane-1,2-diol
CID 162138861
acetic acid;butan-1-ol;propane-1,2-diol
CID 175324133
hexane;2-methylpropan-1-ol
CID 19979471
propane-1,2-diol;trihydrochloride;dihydrofluoride
CID 174772875
methanol;propane-1,2-diol;hydrochloride
CID 88632623
CID 158929584
CID 158929584
bis(pentadecanoic acid);propane-1,2-diol
CID 121387964

Frequently Asked Questions

What is the IUPAC name of pentane;propane-1,2-diol?
The IUPAC name of pentane;propane-1,2-diol (CID 88731847) is pentane;propane-1,2-diol.
What is the SMILES notation for pentane;propane-1,2-diol?
The canonical SMILES for pentane;propane-1,2-diol is CC(O)CO.CCCCC.
What is the InChIKey of pentane;propane-1,2-diol?
The InChIKey is ZCTUPAANGGHWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H8O2/c1-3-5-4-2;1-3(5)2-4/h3-5H2,1-2H3;3-5H,2H2,1H3.
What are the key properties of pentane;propane-1,2-diol?
pentane;propane-1,2-diol has a molecular weight of 148.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentane;propane-1,2-diol is sourced from PubChem (CID 88731847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).