(E)-4-butyl-3-ethylnon-4-en-3-ol

C15H30O — CID 10823146

IUPAC(E)-4-butyl-3-ethylnon-4-en-3-ol
SMILESCCCC/C=C(\CCCC)C(O)(CC)CC
InChIInChI=1S/C15H30O/c1-5-9-11-13-14(12-10-6-2)15(16,7-3)8-4/h13,16H,5-12H2,1-4H3/b14-13+
InChIKeyYSUSTHPBOSOEGF-BUHFOSPRSA-N
MW226.40 g/mol
LogP4.84
Rot. Bonds9

About (E)-4-butyl-3-ethylnon-4-en-3-ol

(E)-4-butyl-3-ethylnon-4-en-3-ol (PubChem CID 10823146) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is (E)-4-butyl-3-ethylnon-4-en-3-ol.

Molecular Properties

Compound Name(E)-4-butyl-3-ethylnon-4-en-3-ol
PubChem CID10823146
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name(E)-4-butyl-3-ethylnon-4-en-3-ol
SMILESCCCC/C=C(\CCCC)C(O)(CC)CC
InChIInChI=1S/C15H30O/c1-5-9-11-13-14(12-10-6-2)15(16,7-3)8-4/h13,16H,5-12H2,1-4H3/b14-13+
InChIKeyYSUSTHPBOSOEGF-BUHFOSPRSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-butyldec-5-ene
CID 15367252
4-tert-butyloct-3-ene
CID 123879820
3-ethyl-3-hydroxydecan-4-one
CID 103446891
(Z)-5-[(E)-prop-1-enyl]dec-5-ene
CID 102402964
calcium bis((Z)-2-butylhept-2-enoate)
CID 146310962
(Z)-tetradec-5-en-5-ol
CID 129379563
(Z)-6-ethylundec-5-ene
CID 102395453
2-ethyl-2-hydroxyhexanoic acid
CID 20700530
2,3-dimethyltrideca-3,8-dien-2-ol
CID 173250349
(E)-12-bromo-6-butyldodec-5-ene
CID 10086325
methyl (Z)-2-butylhept-2-enoate
CID 11550182
3-ethoxy-3-methyloctan-4-one
CID 116747000

Frequently Asked Questions

What is the IUPAC name of (E)-4-butyl-3-ethylnon-4-en-3-ol?
The IUPAC name of (E)-4-butyl-3-ethylnon-4-en-3-ol (CID 10823146) is (E)-4-butyl-3-ethylnon-4-en-3-ol.
What is the SMILES notation for (E)-4-butyl-3-ethylnon-4-en-3-ol?
The canonical SMILES for (E)-4-butyl-3-ethylnon-4-en-3-ol is CCCC/C=C(\CCCC)C(O)(CC)CC.
What is the InChIKey of (E)-4-butyl-3-ethylnon-4-en-3-ol?
The InChIKey is YSUSTHPBOSOEGF-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H30O/c1-5-9-11-13-14(12-10-6-2)15(16,7-3)8-4/h13,16H,5-12H2,1-4H3/b14-13+.
What are the key properties of (E)-4-butyl-3-ethylnon-4-en-3-ol?
(E)-4-butyl-3-ethylnon-4-en-3-ol has a molecular weight of 226.40 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-butyl-3-ethylnon-4-en-3-ol is sourced from PubChem (CID 10823146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).