5-propan-2-yloctan-4-ol

C11H24O — CID 23385171

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

About 5-propan-2-yloctan-4-ol

5-propan-2-yloctan-4-ol (PubChem CID 23385171) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 5-propan-2-yloctan-4-ol.

Molecular Properties

Compound Name5-propan-2-yloctan-4-ol
PubChem CID23385171
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name5-propan-2-yloctan-4-ol
SMILESCCCC(O)C(CCC)C(C)C
InChIInChI=1S/C11H24O/c1-5-7-10(9(3)4)11(12)8-6-2/h9-12H,5-8H2,1-4H3
InChIKeyZDHOXKUQZMUMNV-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

(4S,5R)-5-propan-2-yloctan-4-ol
CID 59911289
(3S)-4-propan-2-ylheptan-3-ol
CID 59039542
3-ethyl-2-methylheptan-4-ol
CID 23384905
(4S)-3-ethyl-2-methylheptan-4-ol
CID 59039449
hexane-2,3-diol
CID 159913798
2-amino-3-ethylheptan-4-ol
CID 146264910
octane-4,5-diol;hydrate
CID 141056272
2,4-dimethyloctane-3,5-diol
CID 164810304
decane-4,5,6,7-tetrol
CID 73238857
(2S,3S)-2-aminohexan-3-ol
CID 55285025
2-bromo-3-propan-2-ylhexane
CID 63472075
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloctan-4-ol?
The IUPAC name of 5-propan-2-yloctan-4-ol (CID 23385171) is 5-propan-2-yloctan-4-ol.
What is the SMILES notation for 5-propan-2-yloctan-4-ol?
The canonical SMILES for 5-propan-2-yloctan-4-ol is CCCC(O)C(CCC)C(C)C.
What is the InChIKey of 5-propan-2-yloctan-4-ol?
The InChIKey is ZDHOXKUQZMUMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-5-7-10(9(3)4)11(12)8-6-2/h9-12H,5-8H2,1-4H3.
What are the key properties of 5-propan-2-yloctan-4-ol?
5-propan-2-yloctan-4-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-4-ol is sourced from PubChem (CID 23385171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).