2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol

C13H24O — CID 58555305

IUPAC2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol
SMILESCC(C)=CCC(C)(CO)CC=C(C)C
InChIInChI=1S/C13H24O/c1-11(2)6-8-13(5,10-14)9-7-12(3)4/h6-7,14H,8-10H2,1-5H3
InChIKeyOTSJSALGEPYERV-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.70
Rot. Bonds5

About 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol

2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol (PubChem CID 58555305) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol.

Molecular Properties

Compound Name2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol
PubChem CID58555305
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol
SMILESCC(C)=CCC(C)(CO)CC=C(C)C
InChIInChI=1S/C13H24O/c1-11(2)6-8-13(5,10-14)9-7-12(3)4/h6-7,14H,8-10H2,1-5H3
InChIKeyOTSJSALGEPYERV-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.70
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 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol?
The IUPAC name of 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol (CID 58555305) is 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol.
What is the SMILES notation for 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol?
The canonical SMILES for 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol is CC(C)=CCC(C)(CO)CC=C(C)C.
What is the InChIKey of 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol?
The InChIKey is OTSJSALGEPYERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-11(2)6-8-13(5,10-14)9-7-12(3)4/h6-7,14H,8-10H2,1-5H3.
What are the key properties of 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol?
2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-en-1-ol is sourced from PubChem (CID 58555305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).