8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol

C13H26O4 — CID 71150966

IUPAC8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol
SMILESCC(CCCC1CCC1)C(O)C(O)C(O)CO
InChIInChI=1S/C13H26O4/c1-9(4-2-5-10-6-3-7-10)12(16)13(17)11(15)8-14/h9-17H,2-8H2,1H3
InChIKeyZGZRAPADMIPTDJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.67
Rot. Bonds8

About 8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol

8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol (PubChem CID 71150966) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol.

Molecular Properties

Compound Name8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol
PubChem CID71150966
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol
SMILESCC(CCCC1CCC1)C(O)C(O)C(O)CO
InChIInChI=1S/C13H26O4/c1-9(4-2-5-10-6-3-7-10)12(16)13(17)11(15)8-14/h9-17H,2-8H2,1H3
InChIKeyZGZRAPADMIPTDJ-UHFFFAOYSA-N
XLogP0.67
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 68869099
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CID 67118909
4-methylpentylcyclopentane
CID 523530
4-cyclobutylbutane-1,1-diamine
CID 90300630
1-cyclopentylheptan-4-ol
CID 64516527
1-cyclopentyl-4-methylhexan-3-ol
CID 115823411
1-cyclobutyl-3-methylhexan-2-ol
CID 115802415
7-cyclohexyl-2-methylheptane-1,4,5-triol
CID 70398525
1-cyclobutyl-3-methylpentan-2-ol
CID 65459256
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977

Frequently Asked Questions

What is the IUPAC name of 8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol?
The IUPAC name of 8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol (CID 71150966) is 8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol.
What is the SMILES notation for 8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol?
The canonical SMILES for 8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol is CC(CCCC1CCC1)C(O)C(O)C(O)CO.
What is the InChIKey of 8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol?
The InChIKey is ZGZRAPADMIPTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-9(4-2-5-10-6-3-7-10)12(16)13(17)11(15)8-14/h9-17H,2-8H2,1H3.
What are the key properties of 8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol?
8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol has a molecular weight of 246.35 g/mol, XLogP of 0.67, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclobutyl-5-methyloctane-1,2,3,4-tetrol is sourced from PubChem (CID 71150966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).