(E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol

C12H22O3 — CID 23260524

IUPAC(E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol
SMILESC/C(=C\CCC1(C)OCCO1)CCCO
InChIInChI=1S/C12H22O3/c1-11(6-4-8-13)5-3-7-12(2)14-9-10-15-12/h5,13H,3-4,6-10H2,1-2H3/b11-5+
InChIKeyOMGWGIZODVWCJC-VZUCSPMQSA-N
MW214.30 g/mol
LogP2.25
Rot. Bonds6

About (E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol

(E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol (PubChem CID 23260524) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol.

Molecular Properties

Compound Name(E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol
PubChem CID23260524
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol
SMILESC/C(=C\CCC1(C)OCCO1)CCCO
InChIInChI=1S/C12H22O3/c1-11(6-4-8-13)5-3-7-12(2)14-9-10-15-12/h5,13H,3-4,6-10H2,1-2H3/b11-5+
InChIKeyOMGWGIZODVWCJC-VZUCSPMQSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol
CID 10559466
2-methyl-2-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)-1,3-dioxolane
CID 77156345
2-[(3E,7E)-10-(3,3-dimethyloxiran-2-yl)-4,8-dimethyldeca-3,7-dienyl]-2-methyl-1,3-dioxolane
CID 11393106
2-[10-(3,3-dimethyloxiran-2-yl)-4,8-dimethyldeca-3,7-dienyl]-2-methyl-1,3-dioxolane
CID 72829604
2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7-dienyl]-1,3-dioxane
CID 90239417
2,5,5-trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-1,3-dioxane
CID 123618737
2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane;2-[(Z)-4,8-dimethylnon-3-enyl]-2,5,5-trimethyl-1,3-dioxane
CID 139326839
2-but-3-enyl-2-methyl-1,3-dioxolane
CID 11768681
2,5-dimethyl-2-[(Z)-4,8,12-trimethyltridec-3-enyl]-1,3-dioxane
CID 90238999
2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxole
CID 141403807
2,4,5-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7-dienyl]-1,3-dioxolane
CID 90239404
2-[(Z)-6-[(1R,4S)-4-(5,5-dimethoxypent-1-en-2-yl)-2,2-dimethylcyclobutyl]-4-methylhex-3-enyl]-2-methyl-1,3-dioxolane
CID 102465219

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol?
The IUPAC name of (E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol (CID 23260524) is (E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol.
What is the SMILES notation for (E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol?
The canonical SMILES for (E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol is C/C(=C\CCC1(C)OCCO1)CCCO.
What is the InChIKey of (E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol?
The InChIKey is OMGWGIZODVWCJC-VZUCSPMQSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(6-4-8-13)5-3-7-12(2)14-9-10-15-12/h5,13H,3-4,6-10H2,1-2H3/b11-5+.
What are the key properties of (E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol?
(E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol has a molecular weight of 214.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol is sourced from PubChem (CID 23260524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).