(4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane

C11H20O2 — CID 14489249

IUPAC(4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)[C@@H]1OC(C)(C)O[C@H]1C(C)C
InChIInChI=1S/C11H20O2/c1-7(2)9-10(8(3)4)13-11(5,6)12-9/h8-10H,1H2,2-6H3/t9-,10-/m0/s1
InChIKeyVGIAAMKIQFJNNA-UWVGGRQHSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds2

About (4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane

(4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane (PubChem CID 14489249) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane
PubChem CID14489249
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)[C@@H]1OC(C)(C)O[C@H]1C(C)C
InChIInChI=1S/C11H20O2/c1-7(2)9-10(8(3)4)13-11(5,6)12-9/h8-10H,1H2,2-6H3/t9-,10-/m0/s1
InChIKeyVGIAAMKIQFJNNA-UWVGGRQHSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane?
The IUPAC name of (4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane (CID 14489249) is (4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane?
The canonical SMILES for (4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane is C=C(C)[C@@H]1OC(C)(C)O[C@H]1C(C)C.
What is the InChIKey of (4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane?
The InChIKey is VGIAAMKIQFJNNA-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20O2/c1-7(2)9-10(8(3)4)13-11(5,6)12-9/h8-10H,1H2,2-6H3/t9-,10-/m0/s1.
What are the key properties of (4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane?
(4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2,2-dimethyl-4-propan-2-yl-5-prop-1-en-2-yl-1,3-dioxolane is sourced from PubChem (CID 14489249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).