(4S)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane

C10H16O2 — CID 71350114

IUPAC(4S)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane
SMILESC#CC[C@H]1COC(CC)(CC)O1
InChIInChI=1S/C10H16O2/c1-4-7-9-8-11-10(5-2,6-3)12-9/h1,9H,5-8H2,2-3H3/t9-/m0/s1
InChIKeyVRBJTOHWNKXDHF-VIFPVBQESA-N
MW168.24 g/mol
LogP1.94
Rot. Bonds3

About (4S)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane

(4S)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane (PubChem CID 71350114) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4S)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane
PubChem CID71350114
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4S)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane
SMILESC#CC[C@H]1COC(CC)(CC)O1
InChIInChI=1S/C10H16O2/c1-4-7-9-8-11-10(5-2,6-3)12-9/h1,9H,5-8H2,2-3H3/t9-/m0/s1
InChIKeyVRBJTOHWNKXDHF-VIFPVBQESA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.94
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)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane?
The IUPAC name of (4S)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane (CID 71350114) is (4S)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane is C#CC[C@H]1COC(CC)(CC)O1.
What is the InChIKey of (4S)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane?
The InChIKey is VRBJTOHWNKXDHF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16O2/c1-4-7-9-8-11-10(5-2,6-3)12-9/h1,9H,5-8H2,2-3H3/t9-/m0/s1.
What are the key properties of (4S)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane?
(4S)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane has a molecular weight of 168.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-diethyl-4-prop-2-ynyl-1,3-dioxolane is sourced from PubChem (CID 71350114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).