(4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane

C13H20O2 — CID 129387417

IUPAC(4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](CCC#CCC2CC2)O1
InChIInChI=1S/C13H20O2/c1-13(2)14-10-12(15-13)7-5-3-4-6-11-8-9-11/h11-12H,5-10H2,1-2H3/t12-/m0/s1
InChIKeyUEGZMFXMAZHBQR-LBPRGKRZSA-N
MW208.30 g/mol
LogP2.72
Rot. Bonds3

About (4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane

(4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 129387417) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID129387417
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](CCC#CCC2CC2)O1
InChIInChI=1S/C13H20O2/c1-13(2)14-10-12(15-13)7-5-3-4-6-11-8-9-11/h11-12H,5-10H2,1-2H3/t12-/m0/s1
InChIKeyUEGZMFXMAZHBQR-LBPRGKRZSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane (CID 129387417) is (4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@H](CCC#CCC2CC2)O1.
What is the InChIKey of (4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is UEGZMFXMAZHBQR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20O2/c1-13(2)14-10-12(15-13)7-5-3-4-6-11-8-9-11/h11-12H,5-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane?
(4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 208.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-cyclopropylpent-3-ynyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 129387417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).