(3S,4R)-3,5-diethylnon-1-en-4-ol

C13H26O — CID 102096606

IUPAC(3S,4R)-3,5-diethylnon-1-en-4-ol
SMILESC=C[C@H](CC)[C@H](O)C(CC)CCCC
InChIInChI=1S/C13H26O/c1-5-9-10-12(8-4)13(14)11(6-2)7-3/h6,11-14H,2,5,7-10H2,1,3-4H3/t11-,12?,13+/m1/s1
InChIKeyXINWTHCXMOMPBN-YPHAAILGSA-N
MW198.35 g/mol
LogP3.78
Rot. Bonds8

About (3S,4R)-3,5-diethylnon-1-en-4-ol

(3S,4R)-3,5-diethylnon-1-en-4-ol (PubChem CID 102096606) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (3S,4R)-3,5-diethylnon-1-en-4-ol.

Molecular Properties

Compound Name(3S,4R)-3,5-diethylnon-1-en-4-ol
PubChem CID102096606
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(3S,4R)-3,5-diethylnon-1-en-4-ol
SMILESC=C[C@H](CC)[C@H](O)C(CC)CCCC
InChIInChI=1S/C13H26O/c1-5-9-10-12(8-4)13(14)11(6-2)7-3/h6,11-14H,2,5,7-10H2,1,3-4H3/t11-,12?,13+/m1/s1
InChIKeyXINWTHCXMOMPBN-YPHAAILGSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 89253066
5-ethylpentadecane-6,7-diol
CID 123906465
5-ethyltetradecane-6,7-diol
CID 22726226
4-ethyloctane-1,3-diol
CID 57022453
1-cyclopropyl-3-ethylheptan-2-ol
CID 115804014
N,4-diethyloct-1-en-3-amine
CID 105000765
5-ethyl-4-methylnon-1-ene
CID 22027489
4-ethyl-3-methyldodec-1-ene
CID 145405438
4,5-diethylnonane
CID 21188862
5-pent-1-en-3-ylnona-2,3-diene
CID 134994883
3-ethylhept-1-ene
CID 12923943
2-ethylheptane-1,1-diol
CID 54525502

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,5-diethylnon-1-en-4-ol?
The IUPAC name of (3S,4R)-3,5-diethylnon-1-en-4-ol (CID 102096606) is (3S,4R)-3,5-diethylnon-1-en-4-ol.
What is the SMILES notation for (3S,4R)-3,5-diethylnon-1-en-4-ol?
The canonical SMILES for (3S,4R)-3,5-diethylnon-1-en-4-ol is C=C[C@H](CC)[C@H](O)C(CC)CCCC.
What is the InChIKey of (3S,4R)-3,5-diethylnon-1-en-4-ol?
The InChIKey is XINWTHCXMOMPBN-YPHAAILGSA-N. The full InChI is InChI=1S/C13H26O/c1-5-9-10-12(8-4)13(14)11(6-2)7-3/h6,11-14H,2,5,7-10H2,1,3-4H3/t11-,12?,13+/m1/s1.
What are the key properties of (3S,4R)-3,5-diethylnon-1-en-4-ol?
(3S,4R)-3,5-diethylnon-1-en-4-ol has a molecular weight of 198.35 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,5-diethylnon-1-en-4-ol is sourced from PubChem (CID 102096606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).