formic acid;(2E,6Z)-nona-2,6-dien-1-ol

C10H18O3 — CID 170840037

IUPACformic acid;(2E,6Z)-nona-2,6-dien-1-ol
SMILESCC/C=C\CC/C=C/CO.O=CO
InChIInChI=1S/C9H16O.CH2O2/c1-2-3-4-5-6-7-8-9-10;2-1-3/h3-4,7-8,10H,2,5-6,9H2,1H3;1H,(H,2,3)/b4-3-,8-7+;
InChIKeyPJOCLPXMEGWBNG-BFPYGZNISA-N
MW186.25 g/mol
LogP1.98
Rot. Bonds5

About formic acid;(2E,6Z)-nona-2,6-dien-1-ol

formic acid;(2E,6Z)-nona-2,6-dien-1-ol (PubChem CID 170840037) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is formic acid;(2E,6Z)-nona-2,6-dien-1-ol.

Molecular Properties

Compound Nameformic acid;(2E,6Z)-nona-2,6-dien-1-ol
PubChem CID170840037
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameformic acid;(2E,6Z)-nona-2,6-dien-1-ol
SMILESCC/C=C\CC/C=C/CO.O=CO
InChIInChI=1S/C9H16O.CH2O2/c1-2-3-4-5-6-7-8-9-10;2-1-3/h3-4,7-8,10H,2,5-6,9H2,1H3;1H,(H,2,3)/b4-3-,8-7+;
InChIKeyPJOCLPXMEGWBNG-BFPYGZNISA-N
XLogP1.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(213C)octa-2,6-diene-1,8-diol
CID 57064560
[(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol
CID 134303237
(2E)-nona-2,6-dienal
CID 6992048
(E)-hex-2-en-1-ol;hydrochloride
CID 141009996
(2E,6E,10E,14E)-hexadeca-2,6,10,14-tetraen-1-ol
CID 21397771
octadeca-2,13-dien-1-ol
CID 543270
(2E,13Z)-octadeca-2,13-dien-1-ol
CID 5283306
docosa-4,8,12,15,19-pentaenal
CID 54481142
(Z)-hept-4-en-1-ol
CID 5367536
(2E,6E,10E)-tricosa-2,6,10-trien-1-ol
CID 11461788

Frequently Asked Questions

What is the IUPAC name of formic acid;(2E,6Z)-nona-2,6-dien-1-ol?
The IUPAC name of formic acid;(2E,6Z)-nona-2,6-dien-1-ol (CID 170840037) is formic acid;(2E,6Z)-nona-2,6-dien-1-ol.
What is the SMILES notation for formic acid;(2E,6Z)-nona-2,6-dien-1-ol?
The canonical SMILES for formic acid;(2E,6Z)-nona-2,6-dien-1-ol is CC/C=C\CC/C=C/CO.O=CO.
What is the InChIKey of formic acid;(2E,6Z)-nona-2,6-dien-1-ol?
The InChIKey is PJOCLPXMEGWBNG-BFPYGZNISA-N. The full InChI is InChI=1S/C9H16O.CH2O2/c1-2-3-4-5-6-7-8-9-10;2-1-3/h3-4,7-8,10H,2,5-6,9H2,1H3;1H,(H,2,3)/b4-3-,8-7+;.
What are the key properties of formic acid;(2E,6Z)-nona-2,6-dien-1-ol?
formic acid;(2E,6Z)-nona-2,6-dien-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(2E,6Z)-nona-2,6-dien-1-ol is sourced from PubChem (CID 170840037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).