octan-1-ol;pentane-1,5-diol

C13H30O3 — CID 174867151

IUPACoctan-1-ol;pentane-1,5-diol
SMILESCCCCCCCCO.OCCCCCO
InChIInChI=1S/C8H18O.C5H12O2/c1-2-3-4-5-6-7-8-9;6-4-2-1-3-5-7/h9H,2-8H2,1H3;6-7H,1-5H2
InChIKeyFNIDYUGZBMYIMA-UHFFFAOYSA-N
MW234.38 g/mol
LogP2.48
Rot. Bonds10

About octan-1-ol;pentane-1,5-diol

octan-1-ol;pentane-1,5-diol (PubChem CID 174867151) has the molecular formula C13H30O3 and a molecular weight of 234.38 g/mol. Its IUPAC name is octan-1-ol;pentane-1,5-diol.

Molecular Properties

Compound Nameoctan-1-ol;pentane-1,5-diol
PubChem CID174867151
Molecular FormulaC13H30O3
Molecular Weight234.38 g/mol
Exact Mass234.22
IUPAC Nameoctan-1-ol;pentane-1,5-diol
SMILESCCCCCCCCO.OCCCCCO
InChIInChI=1S/C8H18O.C5H12O2/c1-2-3-4-5-6-7-8-9;6-4-2-1-3-5-7/h9H,2-8H2,1H3;6-7H,1-5H2
InChIKeyFNIDYUGZBMYIMA-UHFFFAOYSA-N
XLogP2.48
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
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dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830
hexadecane;hexadecan-1-ol
CID 22418546

Frequently Asked Questions

What is the IUPAC name of octan-1-ol;pentane-1,5-diol?
The IUPAC name of octan-1-ol;pentane-1,5-diol (CID 174867151) is octan-1-ol;pentane-1,5-diol.
What is the SMILES notation for octan-1-ol;pentane-1,5-diol?
The canonical SMILES for octan-1-ol;pentane-1,5-diol is CCCCCCCCO.OCCCCCO.
What is the InChIKey of octan-1-ol;pentane-1,5-diol?
The InChIKey is FNIDYUGZBMYIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C5H12O2/c1-2-3-4-5-6-7-8-9;6-4-2-1-3-5-7/h9H,2-8H2,1H3;6-7H,1-5H2.
What are the key properties of octan-1-ol;pentane-1,5-diol?
octan-1-ol;pentane-1,5-diol has a molecular weight of 234.38 g/mol, XLogP of 2.48, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octan-1-ol;pentane-1,5-diol is sourced from PubChem (CID 174867151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).