ethane-1,2-diol;octan-4-ol

C10H24O3 — CID 174867706

IUPACethane-1,2-diol;octan-4-ol
SMILESCCCCC(O)CCC.OCCO
InChIInChI=1S/C8H18O.C2H6O2/c1-3-5-7-8(9)6-4-2;3-1-2-4/h8-9H,3-7H2,1-2H3;3-4H,1-2H2
InChIKeyJVXHDPZSSUHNBT-UHFFFAOYSA-N
MW192.30 g/mol
LogP1.31
Rot. Bonds6

About ethane-1,2-diol;octan-4-ol

ethane-1,2-diol;octan-4-ol (PubChem CID 174867706) has the molecular formula C10H24O3 and a molecular weight of 192.30 g/mol. Its IUPAC name is ethane-1,2-diol;octan-4-ol.

Molecular Properties

Compound Nameethane-1,2-diol;octan-4-ol
PubChem CID174867706
Molecular FormulaC10H24O3
Molecular Weight192.30 g/mol
Exact Mass192.17
IUPAC Nameethane-1,2-diol;octan-4-ol
SMILESCCCCC(O)CCC.OCCO
InChIInChI=1S/C8H18O.C2H6O2/c1-3-5-7-8(9)6-4-2;3-1-2-4/h8-9H,3-7H2,1-2H3;3-4H,1-2H2
InChIKeyJVXHDPZSSUHNBT-UHFFFAOYSA-N
XLogP1.31
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,8R)-undecane-4,8-diol
CID 101372142
CID 172776718
CID 172776718
tetradecane-1,11-diol
CID 11390599
octacosan-4-ol
CID 54117167
(4S)-nonadecan-4-ol
CID 89325355
decane-4,6-diol;scandium
CID 164810305
hexane-1,3-diol;hydrochloride
CID 141150111
(5S)-octadecan-5-ol
CID 98231191
icosane-5,11-diol
CID 170722582
tritetracontan-5-ol
CID 162898528
icosane-5,10-diol
CID 170722579
tetrakis(hexane-1,3-diol);titanium
CID 173060887

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;octan-4-ol?
The IUPAC name of ethane-1,2-diol;octan-4-ol (CID 174867706) is ethane-1,2-diol;octan-4-ol.
What is the SMILES notation for ethane-1,2-diol;octan-4-ol?
The canonical SMILES for ethane-1,2-diol;octan-4-ol is CCCCC(O)CCC.OCCO.
What is the InChIKey of ethane-1,2-diol;octan-4-ol?
The InChIKey is JVXHDPZSSUHNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C2H6O2/c1-3-5-7-8(9)6-4-2;3-1-2-4/h8-9H,3-7H2,1-2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;octan-4-ol?
ethane-1,2-diol;octan-4-ol has a molecular weight of 192.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;octan-4-ol is sourced from PubChem (CID 174867706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).