3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol

C11H22O2 — CID 21424146

IUPAC3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol
SMILESC=CC(C)(O)CCOCCC(C)C
InChIInChI=1S/C11H22O2/c1-5-11(4,12)7-9-13-8-6-10(2)3/h5,10,12H,1,6-9H2,2-4H3
InChIKeyGNAUJEXXHFZHHS-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.38
Rot. Bonds7

About 3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol

3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol (PubChem CID 21424146) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol.

Molecular Properties

Compound Name3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol
PubChem CID21424146
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol
SMILESC=CC(C)(O)CCOCCC(C)C
InChIInChI=1S/C11H22O2/c1-5-11(4,12)7-9-13-8-6-10(2)3/h5,10,12H,1,6-9H2,2-4H3
InChIKeyGNAUJEXXHFZHHS-UHFFFAOYSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol?
The IUPAC name of 3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol (CID 21424146) is 3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol.
What is the SMILES notation for 3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol?
The canonical SMILES for 3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol is C=CC(C)(O)CCOCCC(C)C.
What is the InChIKey of 3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol?
The InChIKey is GNAUJEXXHFZHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-11(4,12)7-9-13-8-6-10(2)3/h5,10,12H,1,6-9H2,2-4H3.
What are the key properties of 3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol?
3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol has a molecular weight of 186.29 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylbutoxy)pent-1-en-3-ol is sourced from PubChem (CID 21424146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).