4-ethyl-2-propan-2-yloctan-1-ol

C13H28O — CID 66060699

IUPAC4-ethyl-2-propan-2-yloctan-1-ol
SMILESCCCCC(CC)CC(CO)C(C)C
InChIInChI=1S/C13H28O/c1-5-7-8-12(6-2)9-13(10-14)11(3)4/h11-14H,5-10H2,1-4H3
InChIKeyAOPAPRLDCLEKEX-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.86
Rot. Bonds8

About 4-ethyl-2-propan-2-yloctan-1-ol

4-ethyl-2-propan-2-yloctan-1-ol (PubChem CID 66060699) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 4-ethyl-2-propan-2-yloctan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-propan-2-yloctan-1-ol
PubChem CID66060699
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name4-ethyl-2-propan-2-yloctan-1-ol
SMILESCCCCC(CC)CC(CO)C(C)C
InChIInChI=1S/C13H28O/c1-5-7-8-12(6-2)9-13(10-14)11(3)4/h11-14H,5-10H2,1-4H3
InChIKeyAOPAPRLDCLEKEX-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-methyl-2-propan-2-yloctan-1-amine
CID 63521141
2-propan-2-yl-4-propylpentane-1,5-diol
CID 18794987
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
3-ethyl-2-methyl-5-(2-methylpropyl)nonane
CID 123359342
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164
2-ethylhexan-1-ol;hydron
CID 175010288
2-ethylhexan-1-ol;iron
CID 22477032
4,5,7-triethylundecane
CID 123222302
6-ethyl-2,3-dimethyldecan-4-ol
CID 114981252
3,5-diethyl-2-methyloctane
CID 57491216
(2S)-2-propan-2-ylheptan-1-ol
CID 122598639
CID 159249113
CID 159249113

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propan-2-yloctan-1-ol?
The IUPAC name of 4-ethyl-2-propan-2-yloctan-1-ol (CID 66060699) is 4-ethyl-2-propan-2-yloctan-1-ol.
What is the SMILES notation for 4-ethyl-2-propan-2-yloctan-1-ol?
The canonical SMILES for 4-ethyl-2-propan-2-yloctan-1-ol is CCCCC(CC)CC(CO)C(C)C.
What is the InChIKey of 4-ethyl-2-propan-2-yloctan-1-ol?
The InChIKey is AOPAPRLDCLEKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-5-7-8-12(6-2)9-13(10-14)11(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 4-ethyl-2-propan-2-yloctan-1-ol?
4-ethyl-2-propan-2-yloctan-1-ol has a molecular weight of 200.37 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-propan-2-yloctan-1-ol is sourced from PubChem (CID 66060699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).