(E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol

C10H18O3 — CID 54597703

IUPAC(E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol
SMILESCCCC1(C/C=C/CO)OCCO1
InChIInChI=1S/C10H18O3/c1-2-5-10(6-3-4-7-11)12-8-9-13-10/h3-4,11H,2,5-9H2,1H3/b4-3+
InChIKeyXHENNVAPMVUFAP-ONEGZZNKSA-N
MW186.25 g/mol
LogP1.47
Rot. Bonds5

About (E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol

(E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol (PubChem CID 54597703) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol
PubChem CID54597703
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol
SMILESCCCC1(C/C=C/CO)OCCO1
InChIInChI=1S/C10H18O3/c1-2-5-10(6-3-4-7-11)12-8-9-13-10/h3-4,11H,2,5-9H2,1H3/b4-3+
InChIKeyXHENNVAPMVUFAP-ONEGZZNKSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

ethyl (E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-enoate
CID 14505112
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
methyl 5-[2-[(3R)-3-hydroxybutyl]-1,3-dioxolan-2-yl]pent-3-enoate
CID 135039827
7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
CID 10359175
2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
CID 72578433
2-[2-(3-oxobutyl)-1,3-dioxolan-2-yl]acetaldehyde
CID 71390522
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
(2E,5E)-5-methyl-6-trimethylsilylhepta-2,5-dien-1-ol
CID 102291829
2-[(E)-but-2-enyl]-2-prop-2-enyl-1,3-dioxolane
CID 68856408
2-heptyl-2-propyl-1,3-dioxane
CID 89440265
1,1-dideuterio-2-[2-(2,2-dideuterio-2-hydroxyethyl)-1,3-dioxolan-2-yl]ethanol
CID 118056005

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol?
The IUPAC name of (E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol (CID 54597703) is (E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol?
The canonical SMILES for (E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol is CCCC1(C/C=C/CO)OCCO1.
What is the InChIKey of (E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol?
The InChIKey is XHENNVAPMVUFAP-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-5-10(6-3-4-7-11)12-8-9-13-10/h3-4,11H,2,5-9H2,1H3/b4-3+.
What are the key properties of (E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol?
(E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-propyl-1,3-dioxolan-2-yl)but-2-en-1-ol is sourced from PubChem (CID 54597703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).