1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol

C10H16O3 — CID 129199119

IUPAC1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol
SMILESC=C(C)C1OC(C)(C)O[C@H]1C(=C)O
InChIInChI=1S/C10H16O3/c1-6(2)8-9(7(3)11)13-10(4,5)12-8/h8-9,11H,1,3H2,2,4-5H3/t8?,9-/m0/s1
InChIKeyVRYGOPOMARWHNY-GKAPJAKFSA-N
MW184.23 g/mol
LogP2.15
Rot. Bonds2

About 1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol

1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol (PubChem CID 129199119) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol.

Molecular Properties

Compound Name1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol
PubChem CID129199119
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol
SMILESC=C(C)C1OC(C)(C)O[C@H]1C(=C)O
InChIInChI=1S/C10H16O3/c1-6(2)8-9(7(3)11)13-10(4,5)12-8/h8-9,11H,1,3H2,2,4-5H3/t8?,9-/m0/s1
InChIKeyVRYGOPOMARWHNY-GKAPJAKFSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol?
The IUPAC name of 1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol (CID 129199119) is 1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol.
What is the SMILES notation for 1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol?
The canonical SMILES for 1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol is C=C(C)C1OC(C)(C)O[C@H]1C(=C)O.
What is the InChIKey of 1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol?
The InChIKey is VRYGOPOMARWHNY-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H16O3/c1-6(2)8-9(7(3)11)13-10(4,5)12-8/h8-9,11H,1,3H2,2,4-5H3/t8?,9-/m0/s1.
What are the key properties of 1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol?
1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol has a molecular weight of 184.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]ethenol is sourced from PubChem (CID 129199119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).