(E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol

C12H22O2 — CID 141309557

IUPAC(E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol
SMILESC/C=C/C(O)(/C=C/C)CCCCCO
InChIInChI=1S/C12H22O2/c1-3-8-12(14,9-4-2)10-6-5-7-11-13/h3-4,8-9,13-14H,5-7,10-11H2,1-2H3/b8-3+,9-4+
InChIKeyGJYDJFVRLUSTJG-BQYBEJQRSA-N
MW198.31 g/mol
LogP2.42
Rot. Bonds7

About (E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol

(E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol (PubChem CID 141309557) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol.

Molecular Properties

Compound Name(E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol
PubChem CID141309557
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol
SMILESC/C=C/C(O)(/C=C/C)CCCCCO
InChIInChI=1S/C12H22O2/c1-3-8-12(14,9-4-2)10-6-5-7-11-13/h3-4,8-9,13-14H,5-7,10-11H2,1-2H3/b8-3+,9-4+
InChIKeyGJYDJFVRLUSTJG-BQYBEJQRSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol?
The IUPAC name of (E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol (CID 141309557) is (E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol.
What is the SMILES notation for (E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol?
The canonical SMILES for (E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol is C/C=C/C(O)(/C=C/C)CCCCCO.
What is the InChIKey of (E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol?
The InChIKey is GJYDJFVRLUSTJG-BQYBEJQRSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-8-12(14,9-4-2)10-6-5-7-11-13/h3-4,8-9,13-14H,5-7,10-11H2,1-2H3/b8-3+,9-4+.
What are the key properties of (E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol?
(E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol has a molecular weight of 198.31 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[(E)-prop-1-enyl]non-7-ene-1,6-diol is sourced from PubChem (CID 141309557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).