3-ethyl-2-heptan-3-ylheptan-1-ol

C16H34O — CID 170847817

IUPAC3-ethyl-2-heptan-3-ylheptan-1-ol
SMILESCCCCC(CC)C(CO)C(CC)CCCC
InChIInChI=1S/C16H34O/c1-5-9-11-14(7-3)16(13-17)15(8-4)12-10-6-2/h14-17H,5-13H2,1-4H3
InChIKeyQUHMOKXWGDYPBK-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.03
Rot. Bonds11

About 3-ethyl-2-heptan-3-ylheptan-1-ol

3-ethyl-2-heptan-3-ylheptan-1-ol (PubChem CID 170847817) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 3-ethyl-2-heptan-3-ylheptan-1-ol.

Molecular Properties

Compound Name3-ethyl-2-heptan-3-ylheptan-1-ol
PubChem CID170847817
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name3-ethyl-2-heptan-3-ylheptan-1-ol
SMILESCCCCC(CC)C(CO)C(CC)CCCC
InChIInChI=1S/C16H34O/c1-5-9-11-14(7-3)16(13-17)15(8-4)12-10-6-2/h14-17H,5-13H2,1-4H3
InChIKeyQUHMOKXWGDYPBK-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 175029890
2,3,4-tributylpentane-1,5-diol
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2-butyl-3-propylbutane-1,4-diol
CID 87266771
5,7-diethylundecan-6-ol
CID 89253066
4,5-diethylnonane
CID 21188862
2-butyl-3-(hydroxymethyl)hexane-1,6-diol
CID 175072531
4-ethyloctane-1,3-diol
CID 57022453
3-(dibromomethyl)heptane
CID 87164380
5,6-diethyldodecane
CID 90761715
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
5-butyl-6-ethyldodecane
CID 529932
2-butylhexane-1,3-diol
CID 18522832

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-heptan-3-ylheptan-1-ol?
The IUPAC name of 3-ethyl-2-heptan-3-ylheptan-1-ol (CID 170847817) is 3-ethyl-2-heptan-3-ylheptan-1-ol.
What is the SMILES notation for 3-ethyl-2-heptan-3-ylheptan-1-ol?
The canonical SMILES for 3-ethyl-2-heptan-3-ylheptan-1-ol is CCCCC(CC)C(CO)C(CC)CCCC.
What is the InChIKey of 3-ethyl-2-heptan-3-ylheptan-1-ol?
The InChIKey is QUHMOKXWGDYPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-5-9-11-14(7-3)16(13-17)15(8-4)12-10-6-2/h14-17H,5-13H2,1-4H3.
What are the key properties of 3-ethyl-2-heptan-3-ylheptan-1-ol?
3-ethyl-2-heptan-3-ylheptan-1-ol has a molecular weight of 242.45 g/mol, XLogP of 5.03, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-heptan-3-ylheptan-1-ol is sourced from PubChem (CID 170847817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).