5-butylnonan-4-ol

C13H28O — CID 173066814

IUPAC5-butylnonan-4-ol
SMILESCCCCC(CCCC)C(O)CCC
InChIInChI=1S/C13H28O/c1-4-7-10-12(11-8-5-2)13(14)9-6-3/h12-14H,4-11H2,1-3H3
InChIKeyKZDJWTWGCKQDDZ-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.14
Rot. Bonds9

About 5-butylnonan-4-ol

5-butylnonan-4-ol (PubChem CID 173066814) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 5-butylnonan-4-ol.

Molecular Properties

Compound Name5-butylnonan-4-ol
PubChem CID173066814
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name5-butylnonan-4-ol
SMILESCCCCC(CCCC)C(O)CCC
InChIInChI=1S/C13H28O/c1-4-7-10-12(11-8-5-2)13(14)9-6-3/h12-14H,4-11H2,1-3H3
InChIKeyKZDJWTWGCKQDDZ-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butylhexane-1,3-diol
CID 18522832
5-butylundecan-6-ol
CID 89253058
4-(2-hydroxyethyl)octane-1,5-diol
CID 173344574
3-butylnonane-1,4-diol
CID 87416344
4-ethyloctane-1,3-diol
CID 57022453
3-propylnonane-1,2-diol
CID 142914720
11-octadecylicosane-1,10,20-triol
CID 174674177
(2S,3R)-3-propylnonane-1,2-diol
CID 132503720
2-methyl-4-propylnonan-5-ol
CID 156689465
5,7-diethylundecan-6-ol
CID 89253066
pentadecane-4,5-diol
CID 103454846
2-butyl-3-propylbutane-1,4-diol
CID 87266771

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-4-ol?
The IUPAC name of 5-butylnonan-4-ol (CID 173066814) is 5-butylnonan-4-ol.
What is the SMILES notation for 5-butylnonan-4-ol?
The canonical SMILES for 5-butylnonan-4-ol is CCCCC(CCCC)C(O)CCC.
What is the InChIKey of 5-butylnonan-4-ol?
The InChIKey is KZDJWTWGCKQDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-4-7-10-12(11-8-5-2)13(14)9-6-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 5-butylnonan-4-ol?
5-butylnonan-4-ol has a molecular weight of 200.37 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-4-ol is sourced from PubChem (CID 173066814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).