(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol

C10H18O3 — CID 10559466

IUPAC(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol
SMILESC/C(=C\CCC1(C)OCCO1)CO
InChIInChI=1S/C10H18O3/c1-9(8-11)4-3-5-10(2)12-6-7-13-10/h4,11H,3,5-8H2,1-2H3/b9-4+
InChIKeyHUMWCTNDOODSPS-RUDMXATFSA-N
MW186.25 g/mol
LogP1.47
Rot. Bonds4

About (E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol

(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol (PubChem CID 10559466) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol
PubChem CID10559466
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol
SMILESC/C(=C\CCC1(C)OCCO1)CO
InChIInChI=1S/C10H18O3/c1-9(8-11)4-3-5-10(2)12-6-7-13-10/h4,11H,3,5-8H2,1-2H3/b9-4+
InChIKeyHUMWCTNDOODSPS-RUDMXATFSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.47
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)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol
CID 23260524
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-but-3-enyl-2-methyl-1,3-dioxolane
CID 11768681
(E)-5-[(3S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol
CID 175773701
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
1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol
CID 46782226
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
(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol
CID 10376273
(1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 162928874

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol?
The IUPAC name of (E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol (CID 10559466) is (E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol.
What is the SMILES notation for (E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol?
The canonical SMILES for (E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol is C/C(=C\CCC1(C)OCCO1)CO.
What is the InChIKey of (E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol?
The InChIKey is HUMWCTNDOODSPS-RUDMXATFSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(8-11)4-3-5-10(2)12-6-7-13-10/h4,11H,3,5-8H2,1-2H3/b9-4+.
What are the key properties of (E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol?
(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol is sourced from PubChem (CID 10559466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).