7-methyltrideca-1,12-diene-5,9-diol

C14H26O2 — CID 58965875

IUPAC7-methyltrideca-1,12-diene-5,9-diol
SMILESC=CCCC(O)CC(C)CC(O)CCC=C
InChIInChI=1S/C14H26O2/c1-4-6-8-13(15)10-12(3)11-14(16)9-7-5-2/h4-5,12-16H,1-2,6-11H2,3H3
InChIKeyGWQNYEOYOZOBPS-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.06
Rot. Bonds10

About 7-methyltrideca-1,12-diene-5,9-diol

7-methyltrideca-1,12-diene-5,9-diol (PubChem CID 58965875) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 7-methyltrideca-1,12-diene-5,9-diol.

Molecular Properties

Compound Name7-methyltrideca-1,12-diene-5,9-diol
PubChem CID58965875
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name7-methyltrideca-1,12-diene-5,9-diol
SMILESC=CCCC(O)CC(C)CC(O)CCC=C
InChIInChI=1S/C14H26O2/c1-4-6-8-13(15)10-12(3)11-14(16)9-7-5-2/h4-5,12-16H,1-2,6-11H2,3H3
InChIKeyGWQNYEOYOZOBPS-UHFFFAOYSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyltrideca-1,12-diene-5,9-diol?
The IUPAC name of 7-methyltrideca-1,12-diene-5,9-diol (CID 58965875) is 7-methyltrideca-1,12-diene-5,9-diol.
What is the SMILES notation for 7-methyltrideca-1,12-diene-5,9-diol?
The canonical SMILES for 7-methyltrideca-1,12-diene-5,9-diol is C=CCCC(O)CC(C)CC(O)CCC=C.
What is the InChIKey of 7-methyltrideca-1,12-diene-5,9-diol?
The InChIKey is GWQNYEOYOZOBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-6-8-13(15)10-12(3)11-14(16)9-7-5-2/h4-5,12-16H,1-2,6-11H2,3H3.
What are the key properties of 7-methyltrideca-1,12-diene-5,9-diol?
7-methyltrideca-1,12-diene-5,9-diol has a molecular weight of 226.36 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyltrideca-1,12-diene-5,9-diol is sourced from PubChem (CID 58965875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).