5-propan-2-yloctan-2-ol

C11H24O — CID 123351457

IUPAC5-propan-2-yloctan-2-ol
SMILESCCCC(CCC(C)O)C(C)C
InChIInChI=1S/C11H24O/c1-5-6-11(9(2)3)8-7-10(4)12/h9-12H,5-8H2,1-4H3
InChIKeyGTPWQKJKTIPUSQ-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds6

About 5-propan-2-yloctan-2-ol

5-propan-2-yloctan-2-ol (PubChem CID 123351457) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 5-propan-2-yloctan-2-ol.

Molecular Properties

Compound Name5-propan-2-yloctan-2-ol
PubChem CID123351457
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name5-propan-2-yloctan-2-ol
SMILESCCCC(CCC(C)O)C(C)C
InChIInChI=1S/C11H24O/c1-5-6-11(9(2)3)8-7-10(4)12/h9-12H,5-8H2,1-4H3
InChIKeyGTPWQKJKTIPUSQ-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-pentan-2-ol
CID 7014876
(2S)-2-propan-2-ylhexane-1,5-diol
CID 10888208
(3R)-3-ethyl-2-methylhexane
CID 59954424
ethane;hexane-2,5-diol
CID 143963822
cyclohexane;pentan-2-ol
CID 67677243
5-ethyloctan-2-ol
CID 20725141
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
4-propan-2-yldecane
CID 15038736
2-propylpentane-1,1-diol
CID 87788314
hexan-2-ol;pentan-2-ol
CID 88680973
2-methyl-4-propan-2-ylheptane
CID 21201044
4-methyl-2-propylpentane-1,3-diol
CID 176549638

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloctan-2-ol?
The IUPAC name of 5-propan-2-yloctan-2-ol (CID 123351457) is 5-propan-2-yloctan-2-ol.
What is the SMILES notation for 5-propan-2-yloctan-2-ol?
The canonical SMILES for 5-propan-2-yloctan-2-ol is CCCC(CCC(C)O)C(C)C.
What is the InChIKey of 5-propan-2-yloctan-2-ol?
The InChIKey is GTPWQKJKTIPUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-5-6-11(9(2)3)8-7-10(4)12/h9-12H,5-8H2,1-4H3.
What are the key properties of 5-propan-2-yloctan-2-ol?
5-propan-2-yloctan-2-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloctan-2-ol is sourced from PubChem (CID 123351457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).