(E)-2,5,8-trimethyldec-5-en-3-ol

C13H26O — CID 143524733

IUPAC(E)-2,5,8-trimethyldec-5-en-3-ol
SMILESCCC(C)C/C=C(\C)CC(O)C(C)C
InChIInChI=1S/C13H26O/c1-6-11(4)7-8-12(5)9-13(14)10(2)3/h8,10-11,13-14H,6-7,9H2,1-5H3/b12-8+
InChIKeyLVAMZHKTNUAMDV-XYOKQWHBSA-N
MW198.35 g/mol
LogP3.78
Rot. Bonds6

About (E)-2,5,8-trimethyldec-5-en-3-ol

(E)-2,5,8-trimethyldec-5-en-3-ol (PubChem CID 143524733) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (E)-2,5,8-trimethyldec-5-en-3-ol.

Molecular Properties

Compound Name(E)-2,5,8-trimethyldec-5-en-3-ol
PubChem CID143524733
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(E)-2,5,8-trimethyldec-5-en-3-ol
SMILESCCC(C)C/C=C(\C)CC(O)C(C)C
InChIInChI=1S/C13H26O/c1-6-11(4)7-8-12(5)9-13(14)10(2)3/h8,10-11,13-14H,6-7,9H2,1-5H3/b12-8+
InChIKeyLVAMZHKTNUAMDV-XYOKQWHBSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-2,5,8-trimethyldec-5-en-3-ol?
The IUPAC name of (E)-2,5,8-trimethyldec-5-en-3-ol (CID 143524733) is (E)-2,5,8-trimethyldec-5-en-3-ol.
What is the SMILES notation for (E)-2,5,8-trimethyldec-5-en-3-ol?
The canonical SMILES for (E)-2,5,8-trimethyldec-5-en-3-ol is CCC(C)C/C=C(\C)CC(O)C(C)C.
What is the InChIKey of (E)-2,5,8-trimethyldec-5-en-3-ol?
The InChIKey is LVAMZHKTNUAMDV-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H26O/c1-6-11(4)7-8-12(5)9-13(14)10(2)3/h8,10-11,13-14H,6-7,9H2,1-5H3/b12-8+.
What are the key properties of (E)-2,5,8-trimethyldec-5-en-3-ol?
(E)-2,5,8-trimethyldec-5-en-3-ol has a molecular weight of 198.35 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5,8-trimethyldec-5-en-3-ol is sourced from PubChem (CID 143524733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).