3-ethyl-3,8,8-trimethylnonan-4-ol

C14H30O — CID 156689455

IUPAC3-ethyl-3,8,8-trimethylnonan-4-ol
SMILESCCC(C)(CC)C(O)CCCC(C)(C)C
InChIInChI=1S/C14H30O/c1-7-14(6,8-2)12(15)10-9-11-13(3,4)5/h12,15H,7-11H2,1-6H3
InChIKeyJXHCHFYKTNNDQS-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.39
Rot. Bonds6

About 3-ethyl-3,8,8-trimethylnonan-4-ol

3-ethyl-3,8,8-trimethylnonan-4-ol (PubChem CID 156689455) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 3-ethyl-3,8,8-trimethylnonan-4-ol.

Molecular Properties

Compound Name3-ethyl-3,8,8-trimethylnonan-4-ol
PubChem CID156689455
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name3-ethyl-3,8,8-trimethylnonan-4-ol
SMILESCCC(C)(CC)C(O)CCCC(C)(C)C
InChIInChI=1S/C14H30O/c1-7-14(6,8-2)12(15)10-9-11-13(3,4)5/h12,15H,7-11H2,1-6H3
InChIKeyJXHCHFYKTNNDQS-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(aminomethyl)-3-methylnonan-4-ol
CID 79137941
3-(aminomethyl)-3-methylundecan-4-ol
CID 79137732
6-ethyl-6,9-dimethyldec-8-en-5-ol
CID 118389079
9,9-dimethyldecan-4-ol
CID 18798749
9,9-dimethyldecan-3-ol
CID 156689502
2,2-dimethyldodecan-6-ol
CID 175569881
2,2,8,8-tetramethylnonan-4-ol
CID 19931283
2,2,6-trimethyloctane
CID 522006
2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol
CID 114209872
3,5-diethyl-3,5-dimethylheptan-4-ol
CID 58905143
8,8,8-trifluoro-3,3-dimethyloctan-4-ol
CID 115828379
2,2,6,7-tetramethylundecane
CID 123602815

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,8,8-trimethylnonan-4-ol?
The IUPAC name of 3-ethyl-3,8,8-trimethylnonan-4-ol (CID 156689455) is 3-ethyl-3,8,8-trimethylnonan-4-ol.
What is the SMILES notation for 3-ethyl-3,8,8-trimethylnonan-4-ol?
The canonical SMILES for 3-ethyl-3,8,8-trimethylnonan-4-ol is CCC(C)(CC)C(O)CCCC(C)(C)C.
What is the InChIKey of 3-ethyl-3,8,8-trimethylnonan-4-ol?
The InChIKey is JXHCHFYKTNNDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-7-14(6,8-2)12(15)10-9-11-13(3,4)5/h12,15H,7-11H2,1-6H3.
What are the key properties of 3-ethyl-3,8,8-trimethylnonan-4-ol?
3-ethyl-3,8,8-trimethylnonan-4-ol has a molecular weight of 214.39 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,8,8-trimethylnonan-4-ol is sourced from PubChem (CID 156689455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).