(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol

C10H14O3 — CID 10986912

IUPAC(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol
SMILESC#C/C=C/[C@@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H14O3/c1-4-5-6-8(11)9-7-12-10(2,3)13-9/h1,5-6,8-9,11H,7H2,2-3H3/b6-5+/t8-,9-/m1/s1
InChIKeyIUNYHPHMIISFEZ-JKKBLNIGSA-N
MW182.22 g/mol
LogP0.69
Rot. Bonds2

About (E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol

(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol (PubChem CID 10986912) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol
PubChem CID10986912
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol
SMILESC#C/C=C/[C@@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H14O3/c1-4-5-6-8(11)9-7-12-10(2,3)13-9/h1,5-6,8-9,11H,7H2,2-3H3/b6-5+/t8-,9-/m1/s1
InChIKeyIUNYHPHMIISFEZ-JKKBLNIGSA-N
XLogP0.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol?
The IUPAC name of (E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol (CID 10986912) is (E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol.
What is the SMILES notation for (E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol?
The canonical SMILES for (E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol is C#C/C=C/[C@@H](O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol?
The InChIKey is IUNYHPHMIISFEZ-JKKBLNIGSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-5-6-8(11)9-7-12-10(2,3)13-9/h1,5-6,8-9,11H,7H2,2-3H3/b6-5+/t8-,9-/m1/s1.
What are the key properties of (E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol?
(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol has a molecular weight of 182.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-4-yn-1-ol is sourced from PubChem (CID 10986912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).