(E)-2,5,5-trimethylhex-2-en-1-ol

C9H18O — CID 12603028

IUPAC(E)-2,5,5-trimethylhex-2-en-1-ol
SMILESC/C(=C\CC(C)(C)C)CO
InChIInChI=1S/C9H18O/c1-8(7-10)5-6-9(2,3)4/h5,10H,6-7H2,1-4H3/b8-5+
InChIKeyJKTBWXKBIBEZRZ-VMPITWQZSA-N
MW142.24 g/mol
LogP2.36
Rot. Bonds2

About (E)-2,5,5-trimethylhex-2-en-1-ol

(E)-2,5,5-trimethylhex-2-en-1-ol (PubChem CID 12603028) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (E)-2,5,5-trimethylhex-2-en-1-ol.

Molecular Properties

Compound Name(E)-2,5,5-trimethylhex-2-en-1-ol
PubChem CID12603028
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(E)-2,5,5-trimethylhex-2-en-1-ol
SMILESC/C(=C\CC(C)(C)C)CO
InChIInChI=1S/C9H18O/c1-8(7-10)5-6-9(2,3)4/h5,10H,6-7H2,1-4H3/b8-5+
InChIKeyJKTBWXKBIBEZRZ-VMPITWQZSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.36
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)-2,5,5-trimethylhex-2-en-1-ol?
The IUPAC name of (E)-2,5,5-trimethylhex-2-en-1-ol (CID 12603028) is (E)-2,5,5-trimethylhex-2-en-1-ol.
What is the SMILES notation for (E)-2,5,5-trimethylhex-2-en-1-ol?
The canonical SMILES for (E)-2,5,5-trimethylhex-2-en-1-ol is C/C(=C\CC(C)(C)C)CO.
What is the InChIKey of (E)-2,5,5-trimethylhex-2-en-1-ol?
The InChIKey is JKTBWXKBIBEZRZ-VMPITWQZSA-N. The full InChI is InChI=1S/C9H18O/c1-8(7-10)5-6-9(2,3)4/h5,10H,6-7H2,1-4H3/b8-5+.
What are the key properties of (E)-2,5,5-trimethylhex-2-en-1-ol?
(E)-2,5,5-trimethylhex-2-en-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5,5-trimethylhex-2-en-1-ol is sourced from PubChem (CID 12603028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).