6-tert-butyl-3-methylnonan-2-ol

C14H30O — CID 130315725

IUPAC6-tert-butyl-3-methylnonan-2-ol
SMILESCCCC(CCC(C)C(C)O)C(C)(C)C
InChIInChI=1S/C14H30O/c1-7-8-13(14(4,5)6)10-9-11(2)12(3)15/h11-13,15H,7-10H2,1-6H3
InChIKeyDNHOYFOXRBDOCZ-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.25
Rot. Bonds6

About 6-tert-butyl-3-methylnonan-2-ol

6-tert-butyl-3-methylnonan-2-ol (PubChem CID 130315725) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 6-tert-butyl-3-methylnonan-2-ol.

Molecular Properties

Compound Name6-tert-butyl-3-methylnonan-2-ol
PubChem CID130315725
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name6-tert-butyl-3-methylnonan-2-ol
SMILESCCCC(CCC(C)C(C)O)C(C)(C)C
InChIInChI=1S/C14H30O/c1-7-8-13(14(4,5)6)10-9-11(2)12(3)15/h11-13,15H,7-10H2,1-6H3
InChIKeyDNHOYFOXRBDOCZ-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-3-methylhexan-2-ol
CID 88692749
6-tert-butyl-2-ethyl-2-methylnonane-1,1-diol
CID 122674638
3-methylhexan-2-ol;pyridine
CID 91616825
(3R)-2,2-dimethylhexan-3-ol
CID 7004855
4-methyl-3-propan-2-ylheptan-2-ol
CID 107885963
butane;ethane;3-methylheptan-2-ol
CID 176696047
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
4-tert-butyloctane-1,7-diol
CID 156632523
2-(2-tert-butylpentyl)propanedioic acid
CID 175225037
2,3-dimethylbutane;3-methylbutan-2-ol;2-methylpentane
CID 165015674
5-tert-butyl-4,6-dimethylnonane
CID 91526510
6-tert-butylundecane
CID 90714582

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methylnonan-2-ol?
The IUPAC name of 6-tert-butyl-3-methylnonan-2-ol (CID 130315725) is 6-tert-butyl-3-methylnonan-2-ol.
What is the SMILES notation for 6-tert-butyl-3-methylnonan-2-ol?
The canonical SMILES for 6-tert-butyl-3-methylnonan-2-ol is CCCC(CCC(C)C(C)O)C(C)(C)C.
What is the InChIKey of 6-tert-butyl-3-methylnonan-2-ol?
The InChIKey is DNHOYFOXRBDOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-7-8-13(14(4,5)6)10-9-11(2)12(3)15/h11-13,15H,7-10H2,1-6H3.
What are the key properties of 6-tert-butyl-3-methylnonan-2-ol?
6-tert-butyl-3-methylnonan-2-ol has a molecular weight of 214.39 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methylnonan-2-ol is sourced from PubChem (CID 130315725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).