(E)-5,5,9-trimethyldec-7-ene-1,9-diol

C13H26O2 — CID 21261663

IUPAC(E)-5,5,9-trimethyldec-7-ene-1,9-diol
SMILESCC(C)(O)/C=C/CC(C)(C)CCCCO
InChIInChI=1S/C13H26O2/c1-12(2,8-5-6-11-14)9-7-10-13(3,4)15/h7,10,14-15H,5-6,8-9,11H2,1-4H3/b10-7+
InChIKeyOTERPQDRGJMTDX-JXMROGBWSA-N
MW214.35 g/mol
LogP2.89
Rot. Bonds7

About (E)-5,5,9-trimethyldec-7-ene-1,9-diol

(E)-5,5,9-trimethyldec-7-ene-1,9-diol (PubChem CID 21261663) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (E)-5,5,9-trimethyldec-7-ene-1,9-diol.

Molecular Properties

Compound Name(E)-5,5,9-trimethyldec-7-ene-1,9-diol
PubChem CID21261663
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(E)-5,5,9-trimethyldec-7-ene-1,9-diol
SMILESCC(C)(O)/C=C/CC(C)(C)CCCCO
InChIInChI=1S/C13H26O2/c1-12(2,8-5-6-11-14)9-7-10-13(3,4)15/h7,10,14-15H,5-6,8-9,11H2,1-4H3/b10-7+
InChIKeyOTERPQDRGJMTDX-JXMROGBWSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.89
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5,5,9-trimethyldec-7-ene-1,9-diol?
The IUPAC name of (E)-5,5,9-trimethyldec-7-ene-1,9-diol (CID 21261663) is (E)-5,5,9-trimethyldec-7-ene-1,9-diol.
What is the SMILES notation for (E)-5,5,9-trimethyldec-7-ene-1,9-diol?
The canonical SMILES for (E)-5,5,9-trimethyldec-7-ene-1,9-diol is CC(C)(O)/C=C/CC(C)(C)CCCCO.
What is the InChIKey of (E)-5,5,9-trimethyldec-7-ene-1,9-diol?
The InChIKey is OTERPQDRGJMTDX-JXMROGBWSA-N. The full InChI is InChI=1S/C13H26O2/c1-12(2,8-5-6-11-14)9-7-10-13(3,4)15/h7,10,14-15H,5-6,8-9,11H2,1-4H3/b10-7+.
What are the key properties of (E)-5,5,9-trimethyldec-7-ene-1,9-diol?
(E)-5,5,9-trimethyldec-7-ene-1,9-diol has a molecular weight of 214.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,9-trimethyldec-7-ene-1,9-diol is sourced from PubChem (CID 21261663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).