formic acid;non-3-en-1-ol

C10H20O3 — CID 173228123

IUPACformic acid;non-3-en-1-ol
SMILESCCCCCC=CCCO.O=CO
InChIInChI=1S/C9H18O.CH2O2/c1-2-3-4-5-6-7-8-9-10;2-1-3/h6-7,10H,2-5,8-9H2,1H3;1H,(H,2,3)
InChIKeyMPRZISLTEZURNG-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.21
Rot. Bonds6

About formic acid;non-3-en-1-ol

formic acid;non-3-en-1-ol (PubChem CID 173228123) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is formic acid;non-3-en-1-ol.

Molecular Properties

Compound Nameformic acid;non-3-en-1-ol
PubChem CID173228123
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nameformic acid;non-3-en-1-ol
SMILESCCCCCC=CCCO.O=CO
InChIInChI=1S/C9H18O.CH2O2/c1-2-3-4-5-6-7-8-9-10;2-1-3/h6-7,10H,2-5,8-9H2,1H3;1H,(H,2,3)
InChIKeyMPRZISLTEZURNG-UHFFFAOYSA-N
XLogP2.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.21
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'}

Analyze formic acid;non-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptadec-3-en-1-ol
CID 86130004
(E)-heptadec-3-en-1-ol
CID 170849265
(3Z,6Z,9Z)-pentadeca-3,6,9-trien-1-ol
CID 14359702
acetic acid;(Z)-tridec-3-en-1-ol
CID 175355445
(3E,6E)-henicosa-3,6-dien-1-ol
CID 141187941
(Z)-but-2-enedioic acid;non-3-en-1-ol
CID 175499444
formic acid;oct-2-ene
CID 159391664
(Z)-but-2-enedioic acid;oct-3-en-1-ol
CID 175499439
(E)-heptadec-12-en-1-ol
CID 87814318
henicos-10-en-1-ol
CID 86069169
(Z)-octadec-7-en-1-ol
CID 13338918
(E)-docos-9-en-1-ol
CID 23502502

Frequently Asked Questions

What is the IUPAC name of formic acid;non-3-en-1-ol?
The IUPAC name of formic acid;non-3-en-1-ol (CID 173228123) is formic acid;non-3-en-1-ol.
What is the SMILES notation for formic acid;non-3-en-1-ol?
The canonical SMILES for formic acid;non-3-en-1-ol is CCCCCC=CCCO.O=CO.
What is the InChIKey of formic acid;non-3-en-1-ol?
The InChIKey is MPRZISLTEZURNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.CH2O2/c1-2-3-4-5-6-7-8-9-10;2-1-3/h6-7,10H,2-5,8-9H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;non-3-en-1-ol?
formic acid;non-3-en-1-ol has a molecular weight of 188.27 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;non-3-en-1-ol is sourced from PubChem (CID 173228123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).