2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol

C11H20O — CID 15438227

IUPAC2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol
SMILESCC(C)=CC(=C(C)C)C(C)(C)O
InChIInChI=1S/C11H20O/c1-8(2)7-10(9(3)4)11(5,6)12/h7,12H,1-6H3
InChIKeyXPSXDBNGNAEWFT-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.06
Rot. Bonds2

About 2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol

2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol (PubChem CID 15438227) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol.

Molecular Properties

Compound Name2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol
PubChem CID15438227
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol
SMILESCC(C)=CC(=C(C)C)C(C)(C)O
InChIInChI=1S/C11H20O/c1-8(2)7-10(9(3)4)11(5,6)12/h7,12H,1-6H3
InChIKeyXPSXDBNGNAEWFT-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol?
The IUPAC name of 2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol (CID 15438227) is 2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol.
What is the SMILES notation for 2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol?
The canonical SMILES for 2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol is CC(C)=CC(=C(C)C)C(C)(C)O.
What is the InChIKey of 2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol?
The InChIKey is XPSXDBNGNAEWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)7-10(9(3)4)11(5,6)12/h7,12H,1-6H3.
What are the key properties of 2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol?
2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol has a molecular weight of 168.28 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-propan-2-ylidenehex-4-en-2-ol is sourced from PubChem (CID 15438227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).