ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol

C15H30O — CID 143267708

IUPACethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol
SMILESC=C.C=C(C)/C(=C\C)CC(O)CCC.CC
InChIInChI=1S/C11H20O.C2H6.C2H4/c1-5-7-11(12)8-10(6-2)9(3)4;2*1-2/h6,11-12H,3,5,7-8H2,1-2,4H3;1-2H3;1-2H2/b10-6-;;
InChIKeyIAIQFVFSXUIWIS-LVLXLXDWSA-N
MW226.40 g/mol
LogP4.89
Rot. Bonds5

About ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol

ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol (PubChem CID 143267708) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol.

Molecular Properties

Compound Nameethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol
PubChem CID143267708
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Nameethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol
SMILESC=C.C=C(C)/C(=C\C)CC(O)CCC.CC
InChIInChI=1S/C11H20O.C2H6.C2H4/c1-5-7-11(12)8-10(6-2)9(3)4;2*1-2/h6,11-12H,3,5,7-8H2,1-2,4H3;1-2H3;1-2H2/b10-6-;;
InChIKeyIAIQFVFSXUIWIS-LVLXLXDWSA-N
XLogP4.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol?
The IUPAC name of ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol (CID 143267708) is ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol.
What is the SMILES notation for ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol?
The canonical SMILES for ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol is C=C.C=C(C)/C(=C\C)CC(O)CCC.CC.
What is the InChIKey of ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol?
The InChIKey is IAIQFVFSXUIWIS-LVLXLXDWSA-N. The full InChI is InChI=1S/C11H20O.C2H6.C2H4/c1-5-7-11(12)8-10(6-2)9(3)4;2*1-2/h6,11-12H,3,5,7-8H2,1-2,4H3;1-2H3;1-2H2/b10-6-;;.
What are the key properties of ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol?
ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol has a molecular weight of 226.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol is sourced from PubChem (CID 143267708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).