(4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane

C10H18O2 — CID 143448355

IUPAC(4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane
SMILESC=CC1O[C@@H]([C@H](C)CC)[C@@H](C)O1
InChIInChI=1S/C10H18O2/c1-5-7(3)10-8(4)11-9(6-2)12-10/h6-10H,2,5H2,1,3-4H3/t7-,8-,9?,10+/m1/s1
InChIKeyCDEZWRWVMLYFRV-VYQDEHIVSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds3

About (4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane

(4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane (PubChem CID 143448355) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane
PubChem CID143448355
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane
SMILESC=CC1O[C@@H]([C@H](C)CC)[C@@H](C)O1
InChIInChI=1S/C10H18O2/c1-5-7(3)10-8(4)11-9(6-2)12-10/h6-10H,2,5H2,1,3-4H3/t7-,8-,9?,10+/m1/s1
InChIKeyCDEZWRWVMLYFRV-VYQDEHIVSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
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,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane?
The IUPAC name of (4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane (CID 143448355) is (4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane.
What is the SMILES notation for (4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane?
The canonical SMILES for (4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane is C=CC1O[C@@H]([C@H](C)CC)[C@@H](C)O1.
What is the InChIKey of (4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane?
The InChIKey is CDEZWRWVMLYFRV-VYQDEHIVSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-7(3)10-8(4)11-9(6-2)12-10/h6-10H,2,5H2,1,3-4H3/t7-,8-,9?,10+/m1/s1.
What are the key properties of (4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane?
(4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[(2R)-butan-2-yl]-2-ethenyl-5-methyl-1,3-dioxolane is sourced from PubChem (CID 143448355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).