3-ethyldec-5-yn-4-ol

C12H22O — CID 100982942

IUPAC3-ethyldec-5-yn-4-ol
SMILESCCCCC#CC(O)C(CC)CC
InChIInChI=1S/C12H22O/c1-4-7-8-9-10-12(13)11(5-2)6-3/h11-13H,4-8H2,1-3H3
InChIKeySYHIKHNRWCWXQI-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.98
Rot. Bonds5

About 3-ethyldec-5-yn-4-ol

3-ethyldec-5-yn-4-ol (PubChem CID 100982942) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-ethyldec-5-yn-4-ol.

Molecular Properties

Compound Name3-ethyldec-5-yn-4-ol
PubChem CID100982942
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-ethyldec-5-yn-4-ol
SMILESCCCCC#CC(O)C(CC)CC
InChIInChI=1S/C12H22O/c1-4-7-8-9-10-12(13)11(5-2)6-3/h11-13H,4-8H2,1-3H3
InChIKeySYHIKHNRWCWXQI-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

icosa-6,15-diyn-5-ol
CID 18710567
4-ethyl-1-iodooct-1-yn-3-ol
CID 88753955
(3R)-2-methylundeca-4,6-diyn-3-ol
CID 53475577
(2R)-dec-3-yn-2-ol
CID 129384454
(2S)-heptadec-3-yn-2-ol
CID 58473313
(2R,3S)-2,3-dihydroxydec-4-ynoic acid
CID 163006960
tetracos-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
non-3-yne-1,2-diol
CID 72760493
(2R,3S)-2-aminooctadec-4-yne-1,3-diol
CID 14131081
1-(2-hydroxybutoxy)dec-3-yn-2-ol
CID 139254011
pentadeca-5,10-diyne
CID 15530767

Frequently Asked Questions

What is the IUPAC name of 3-ethyldec-5-yn-4-ol?
The IUPAC name of 3-ethyldec-5-yn-4-ol (CID 100982942) is 3-ethyldec-5-yn-4-ol.
What is the SMILES notation for 3-ethyldec-5-yn-4-ol?
The canonical SMILES for 3-ethyldec-5-yn-4-ol is CCCCC#CC(O)C(CC)CC.
What is the InChIKey of 3-ethyldec-5-yn-4-ol?
The InChIKey is SYHIKHNRWCWXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-7-8-9-10-12(13)11(5-2)6-3/h11-13H,4-8H2,1-3H3.
What are the key properties of 3-ethyldec-5-yn-4-ol?
3-ethyldec-5-yn-4-ol has a molecular weight of 182.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyldec-5-yn-4-ol is sourced from PubChem (CID 100982942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).