(2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane

C10H18O — CID 98618392

IUPAC(2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane
SMILESC=C[C@]1(C)CC[C@H](C(C)C)O1
InChIInChI=1S/C10H18O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,8-9H,1,6-7H2,2-4H3/t9-,10-/m1/s1
InChIKeyGPVKUNYYWAKDRY-NXEZZACHSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds2

About (2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane

(2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane (PubChem CID 98618392) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane.

Molecular Properties

Compound Name(2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane
PubChem CID98618392
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane
SMILESC=C[C@]1(C)CC[C@H](C(C)C)O1
InChIInChI=1S/C10H18O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,8-9H,1,6-7H2,2-4H3/t9-,10-/m1/s1
InChIKeyGPVKUNYYWAKDRY-NXEZZACHSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane?
The IUPAC name of (2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane (CID 98618392) is (2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane.
What is the SMILES notation for (2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane?
The canonical SMILES for (2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane is C=C[C@]1(C)CC[C@H](C(C)C)O1.
What is the InChIKey of (2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane?
The InChIKey is GPVKUNYYWAKDRY-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,8-9H,1,6-7H2,2-4H3/t9-,10-/m1/s1.
What are the key properties of (2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane?
(2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-ethenyl-2-methyl-5-propan-2-yloxolane is sourced from PubChem (CID 98618392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).