(E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol

C13H26O2 — CID 5387061

IUPAC(E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol
SMILESCC(O)/C=C/C(CCC(C)CO)C(C)C
InChIInChI=1S/C13H26O2/c1-10(2)13(8-6-12(4)15)7-5-11(3)9-14/h6,8,10-15H,5,7,9H2,1-4H3/b8-6+
InChIKeyKMASBAKBQVORTA-SOFGYWHQSA-N
MW214.35 g/mol
LogP2.60
Rot. Bonds7

About (E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol

(E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol (PubChem CID 5387061) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol.

Molecular Properties

Compound Name(E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol
PubChem CID5387061
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol
SMILESCC(O)/C=C/C(CCC(C)CO)C(C)C
InChIInChI=1S/C13H26O2/c1-10(2)13(8-6-12(4)15)7-5-11(3)9-14/h6,8,10-15H,5,7,9H2,1-4H3/b8-6+
InChIKeyKMASBAKBQVORTA-SOFGYWHQSA-N
XLogP2.60
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 ≤ 52.60
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 (E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol?
The IUPAC name of (E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol (CID 5387061) is (E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol.
What is the SMILES notation for (E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol?
The canonical SMILES for (E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol is CC(O)/C=C/C(CCC(C)CO)C(C)C.
What is the InChIKey of (E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol?
The InChIKey is KMASBAKBQVORTA-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H26O2/c1-10(2)13(8-6-12(4)15)7-5-11(3)9-14/h6,8,10-15H,5,7,9H2,1-4H3/b8-6+.
What are the key properties of (E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol?
(E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol has a molecular weight of 214.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-5-propan-2-ylnon-6-ene-1,8-diol is sourced from PubChem (CID 5387061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).