ethane;(2E,4Z)-hepta-2,4-dien-2-ol

C9H18O — CID 142115176

IUPACethane;(2E,4Z)-hepta-2,4-dien-2-ol
SMILESCC.CC/C=C\C=C(/C)O
InChIInChI=1S/C7H12O.C2H6/c1-3-4-5-6-7(2)8;1-2/h4-6,8H,3H2,1-2H3;1-2H3/b5-4-,7-6+;
InChIKeyPFWMBFTWKJPAKP-YLKXMWBMSA-N
MW142.24 g/mol
LogP3.44
Rot. Bonds2

About ethane;(2E,4Z)-hepta-2,4-dien-2-ol

ethane;(2E,4Z)-hepta-2,4-dien-2-ol (PubChem CID 142115176) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is ethane;(2E,4Z)-hepta-2,4-dien-2-ol.

Molecular Properties

Compound Nameethane;(2E,4Z)-hepta-2,4-dien-2-ol
PubChem CID142115176
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Nameethane;(2E,4Z)-hepta-2,4-dien-2-ol
SMILESCC.CC/C=C\C=C(/C)O
InChIInChI=1S/C7H12O.C2H6/c1-3-4-5-6-7(2)8;1-2/h4-6,8H,3H2,1-2H3;1-2H3/b5-4-,7-6+;
InChIKeyPFWMBFTWKJPAKP-YLKXMWBMSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-hepta-2,4-dien-2-ol?
The IUPAC name of ethane;(2E,4Z)-hepta-2,4-dien-2-ol (CID 142115176) is ethane;(2E,4Z)-hepta-2,4-dien-2-ol.
What is the SMILES notation for ethane;(2E,4Z)-hepta-2,4-dien-2-ol?
The canonical SMILES for ethane;(2E,4Z)-hepta-2,4-dien-2-ol is CC.CC/C=C\C=C(/C)O.
What is the InChIKey of ethane;(2E,4Z)-hepta-2,4-dien-2-ol?
The InChIKey is PFWMBFTWKJPAKP-YLKXMWBMSA-N. The full InChI is InChI=1S/C7H12O.C2H6/c1-3-4-5-6-7(2)8;1-2/h4-6,8H,3H2,1-2H3;1-2H3/b5-4-,7-6+;.
What are the key properties of ethane;(2E,4Z)-hepta-2,4-dien-2-ol?
ethane;(2E,4Z)-hepta-2,4-dien-2-ol has a molecular weight of 142.24 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z)-hepta-2,4-dien-2-ol is sourced from PubChem (CID 142115176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).