4-butan-2-yloctan-1-ol

C12H26O — CID 57029732

IUPAC4-butan-2-yloctan-1-ol
SMILESCCCCC(CCCO)C(C)CC
InChIInChI=1S/C12H26O/c1-4-6-8-12(9-7-10-13)11(3)5-2/h11-13H,4-10H2,1-3H3
InChIKeyCYAITWBWKUTGHW-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.61
Rot. Bonds8

About 4-butan-2-yloctan-1-ol

4-butan-2-yloctan-1-ol (PubChem CID 57029732) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 4-butan-2-yloctan-1-ol.

Molecular Properties

Compound Name4-butan-2-yloctan-1-ol
PubChem CID57029732
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name4-butan-2-yloctan-1-ol
SMILESCCCCC(CCCO)C(C)CC
InChIInChI=1S/C12H26O/c1-4-6-8-12(9-7-10-13)11(3)5-2/h11-13H,4-10H2,1-3H3
InChIKeyCYAITWBWKUTGHW-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-6-methyloctan-1-ol
CID 89076022
2-butyl-3-(hydroxymethyl)hexane-1,6-diol
CID 175072531
2-butan-2-ylheptan-1-ol
CID 86041006
7-butan-2-yl-4-propylundecane
CID 123685614
4-ethyl-5-methylhexan-1-ol
CID 87192920
4-methyloctan-1-ol;propan-2-ol
CID 18620283
4-ethyl-3-methylundecane
CID 57279647
5-butyl-3-methylnonane-4-thiol
CID 130319843
3,4,9-trimethyl-8-propylundecane
CID 90901381
2-methyl-3-propyldecane-1,10-diol
CID 87292989
4,5-diethylnonane
CID 21188862
4-phosphanyloctan-1-ol
CID 123799727

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloctan-1-ol?
The IUPAC name of 4-butan-2-yloctan-1-ol (CID 57029732) is 4-butan-2-yloctan-1-ol.
What is the SMILES notation for 4-butan-2-yloctan-1-ol?
The canonical SMILES for 4-butan-2-yloctan-1-ol is CCCCC(CCCO)C(C)CC.
What is the InChIKey of 4-butan-2-yloctan-1-ol?
The InChIKey is CYAITWBWKUTGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-4-6-8-12(9-7-10-13)11(3)5-2/h11-13H,4-10H2,1-3H3.
What are the key properties of 4-butan-2-yloctan-1-ol?
4-butan-2-yloctan-1-ol has a molecular weight of 186.34 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloctan-1-ol is sourced from PubChem (CID 57029732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).