(4R,7R)-7-ethyl-2-methylundecan-4-ol

C14H30O — CID 36690392

IUPAC(4R,7R)-7-ethyl-2-methylundecan-4-ol
SMILESCCCC[C@@H](CC)CC[C@@H](O)CC(C)C
InChIInChI=1S/C14H30O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h12-15H,5-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyJKKBSZCOVNFRCQ-ZIAGYGMSSA-N
MW214.39 g/mol
LogP4.39
Rot. Bonds9

About (4R,7R)-7-ethyl-2-methylundecan-4-ol

(4R,7R)-7-ethyl-2-methylundecan-4-ol (PubChem CID 36690392) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is (4R,7R)-7-ethyl-2-methylundecan-4-ol.

Molecular Properties

Compound Name(4R,7R)-7-ethyl-2-methylundecan-4-ol
PubChem CID36690392
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name(4R,7R)-7-ethyl-2-methylundecan-4-ol
SMILESCCCC[C@@H](CC)CC[C@@H](O)CC(C)C
InChIInChI=1S/C14H30O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h12-15H,5-11H2,1-4H3/t13-,14-/m1/s1
InChIKeyJKKBSZCOVNFRCQ-ZIAGYGMSSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
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

7-ethyl-2-methyldodecan-4-ol
CID 171564250
(6R,9R)-3,9-diethyltridecan-6-ol
CID 86308442
(4S)-2-methylnonan-4-ol
CID 86308805
8-ethyl-2-methyl-4-propyldodecane
CID 123360222
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
6-ethyldecane-1,4-diol
CID 106677709
2-methyl-5-(2-methylpropyl)nonane
CID 57492288
5,8,10-triethylpentadecane
CID 123791231
5-ethylnonane-2,3-diol
CID 87935287
9-ethyl-5-ethylidene-2,4-dimethyltridecane
CID 123664205
(5R,7S)-undecane-5,7-diol
CID 10899409

Frequently Asked Questions

What is the IUPAC name of (4R,7R)-7-ethyl-2-methylundecan-4-ol?
The IUPAC name of (4R,7R)-7-ethyl-2-methylundecan-4-ol (CID 36690392) is (4R,7R)-7-ethyl-2-methylundecan-4-ol.
What is the SMILES notation for (4R,7R)-7-ethyl-2-methylundecan-4-ol?
The canonical SMILES for (4R,7R)-7-ethyl-2-methylundecan-4-ol is CCCC[C@@H](CC)CC[C@@H](O)CC(C)C.
What is the InChIKey of (4R,7R)-7-ethyl-2-methylundecan-4-ol?
The InChIKey is JKKBSZCOVNFRCQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H30O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h12-15H,5-11H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of (4R,7R)-7-ethyl-2-methylundecan-4-ol?
(4R,7R)-7-ethyl-2-methylundecan-4-ol has a molecular weight of 214.39 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-7-ethyl-2-methylundecan-4-ol is sourced from PubChem (CID 36690392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).