1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol

C15H20O4 — CID 162744144

IUPAC1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol
SMILESC=CCC(O)COc1cc2c(cc1C(C)C)OCO2
InChIInChI=1S/C15H20O4/c1-4-5-11(16)8-17-13-7-15-14(18-9-19-15)6-12(13)10(2)3/h4,6-7,10-11,16H,1,5,8-9H2,2-3H3
InChIKeyCZXXYGRSJCJEKL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.85
Rot. Bonds6

About 1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol

1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol (PubChem CID 162744144) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol.

Molecular Properties

Compound Name1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol
PubChem CID162744144
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol
SMILESC=CCC(O)COc1cc2c(cc1C(C)C)OCO2
InChIInChI=1S/C15H20O4/c1-4-5-11(16)8-17-13-7-15-14(18-9-19-15)6-12(13)10(2)3/h4,6-7,10-11,16H,1,5,8-9H2,2-3H3
InChIKeyCZXXYGRSJCJEKL-UHFFFAOYSA-N
XLogP2.85
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol
CID 162744154
2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol
CID 170242933
1-[[6-(aminomethyl)-1,3-benzodioxol-5-yl]oxy]-3-methoxypropan-2-ol
CID 63930861
5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole
CID 6992694
3-[[6-(methylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propane-1,2-diol
CID 82849900
1-methoxy-3-[[6-(methylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propan-2-ol
CID 63931069
1-(1,3-benzodioxol-5-yl)hex-5-en-3-ol
CID 122677545
(2R)-1-(1,3-benzodioxol-5-yloxy)-4-methylpentan-2-ol
CID 164702579
2-chloro-N-(6-propan-2-yl-1,3-benzodioxol-5-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 153435179
3-[[6-[(cyclopropylamino)methyl]-1,3-benzodioxol-5-yl]oxy]propane-1,2-diol
CID 82850374
(2R)-1-propan-2-yloxypent-4-en-2-ol
CID 130127578
(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
CID 164702589

Frequently Asked Questions

What is the IUPAC name of 1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol?
The IUPAC name of 1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol (CID 162744144) is 1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol.
What is the SMILES notation for 1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol?
The canonical SMILES for 1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol is C=CCC(O)COc1cc2c(cc1C(C)C)OCO2.
What is the InChIKey of 1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol?
The InChIKey is CZXXYGRSJCJEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-5-11(16)8-17-13-7-15-14(18-9-19-15)6-12(13)10(2)3/h4,6-7,10-11,16H,1,5,8-9H2,2-3H3.
What are the key properties of 1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol?
1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol has a molecular weight of 264.32 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol is sourced from PubChem (CID 162744144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).