5-butan-2-yl-5-methylnonan-3-ol

C14H30O — CID 91506526

IUPAC5-butan-2-yl-5-methylnonan-3-ol
SMILESCCCCC(C)(CC(O)CC)C(C)CC
InChIInChI=1S/C14H30O/c1-6-9-10-14(5,12(4)7-2)11-13(15)8-3/h12-13,15H,6-11H2,1-5H3
InChIKeyDZDFTJPFAZPWCY-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.39
Rot. Bonds8

About 5-butan-2-yl-5-methylnonan-3-ol

5-butan-2-yl-5-methylnonan-3-ol (PubChem CID 91506526) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 5-butan-2-yl-5-methylnonan-3-ol.

Molecular Properties

Compound Name5-butan-2-yl-5-methylnonan-3-ol
PubChem CID91506526
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name5-butan-2-yl-5-methylnonan-3-ol
SMILESCCCCC(C)(CC(O)CC)C(C)CC
InChIInChI=1S/C14H30O/c1-6-9-10-14(5,12(4)7-2)11-13(15)8-3/h12-13,15H,6-11H2,1-5H3
InChIKeyDZDFTJPFAZPWCY-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-3-butan-2-yl-3-methylheptan-2-ol
CID 126694486
6-ethyl-3,4-dimethyl-4-propyldecane
CID 123655302
2-butyl-2-methylpentane-1,3-diol
CID 14742514
3-methyl-3-propyloctan-2-ol
CID 20501793
(3S)-3-amino-4-ethyl-4-methyloctan-2-ol
CID 88936952
(1R,2R)-3-butyl-2,3-dimethyl-1-propan-2-yloxyheptan-1-ol
CID 131976897
4,5-dimethyl-5-propylnonane;ethane
CID 144518109
6-methyl-6-propan-2-ylundecane
CID 87930599
2,4,4-trimethyloctan-3-ol
CID 57242612
3,5-dimethyl-3-propylhexan-2-ol
CID 20501854
3-ethyl-3,4-dimethylhexan-1-ol
CID 139931255
5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol
CID 54376385

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-5-methylnonan-3-ol?
The IUPAC name of 5-butan-2-yl-5-methylnonan-3-ol (CID 91506526) is 5-butan-2-yl-5-methylnonan-3-ol.
What is the SMILES notation for 5-butan-2-yl-5-methylnonan-3-ol?
The canonical SMILES for 5-butan-2-yl-5-methylnonan-3-ol is CCCCC(C)(CC(O)CC)C(C)CC.
What is the InChIKey of 5-butan-2-yl-5-methylnonan-3-ol?
The InChIKey is DZDFTJPFAZPWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-6-9-10-14(5,12(4)7-2)11-13(15)8-3/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 5-butan-2-yl-5-methylnonan-3-ol?
5-butan-2-yl-5-methylnonan-3-ol has a molecular weight of 214.39 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-5-methylnonan-3-ol is sourced from PubChem (CID 91506526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).