acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol

C15H30O — CID 143066011

IUPACacetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol
SMILESC#C.C/C=C\C[C@H](O)C(CC)CCC.CC
InChIInChI=1S/C11H22O.C2H6.C2H2/c1-4-7-9-11(12)10(6-3)8-5-2;2*1-2/h4,7,10-12H,5-6,8-9H2,1-3H3;1-2H3;1-2H/b7-4-;;/t10?,11-;;/m0../s1
InChIKeyAGBQSDKZVPKAPK-KSGDNYJJSA-N
MW226.40 g/mol
LogP4.42
Rot. Bonds6

About acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol

acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol (PubChem CID 143066011) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol.

Molecular Properties

Compound Nameacetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol
PubChem CID143066011
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Nameacetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol
SMILESC#C.C/C=C\C[C@H](O)C(CC)CCC.CC
InChIInChI=1S/C11H22O.C2H6.C2H2/c1-4-7-9-11(12)10(6-3)8-5-2;2*1-2/h4,7,10-12H,5-6,8-9H2,1-3H3;1-2H3;1-2H/b7-4-;;/t10?,11-;;/m0../s1
InChIKeyAGBQSDKZVPKAPK-KSGDNYJJSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z,2S)-3-ethylhept-5-en-2-ol
CID 89085981
(Z)-4-propyloct-6-en-3-amine
CID 89392102
(E)-3-aminooct-6-en-4-ol
CID 20676249
5-ethyldodec-10-en-6-ol
CID 173315974
5-ethyloct-2-ene
CID 54276882
(E,4R,5R)-3-ethyl-5-methylnon-7-en-4-ol
CID 89149802
(E)-2-methylhept-5-en-3-ol
CID 12592438
5-ethyl-6-methylhept-2-ene
CID 54081587
3,4-diethylheptane;ethane
CID 144734225
(E,5S,6R)-6-methyldec-8-en-5-ol
CID 88893107
4,5-diethyloctane
CID 519254
(E)-5-methylhept-2-ene
CID 5364849

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol?
The IUPAC name of acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol (CID 143066011) is acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol.
What is the SMILES notation for acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol?
The canonical SMILES for acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol is C#C.C/C=C\C[C@H](O)C(CC)CCC.CC.
What is the InChIKey of acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol?
The InChIKey is AGBQSDKZVPKAPK-KSGDNYJJSA-N. The full InChI is InChI=1S/C11H22O.C2H6.C2H2/c1-4-7-9-11(12)10(6-3)8-5-2;2*1-2/h4,7,10-12H,5-6,8-9H2,1-3H3;1-2H3;1-2H/b7-4-;;/t10?,11-;;/m0../s1.
What are the key properties of acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol?
acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol has a molecular weight of 226.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;(Z,5S)-6-ethylnon-2-en-5-ol is sourced from PubChem (CID 143066011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).