(2S,3S)-2-methyl-3-pent-4-en-2-yloxolane

C10H18O — CID 144768064

IUPAC(2S,3S)-2-methyl-3-pent-4-en-2-yloxolane
SMILESC=CCC(C)[C@@H]1CCO[C@H]1C
InChIInChI=1S/C10H18O/c1-4-5-8(2)10-6-7-11-9(10)3/h4,8-10H,1,5-7H2,2-3H3/t8?,9-,10-/m0/s1
InChIKeyRXGZOSPPYRSDDP-AGROOBSYSA-N
MW154.25 g/mol
LogP2.62
Rot. Bonds3

About (2S,3S)-2-methyl-3-pent-4-en-2-yloxolane

(2S,3S)-2-methyl-3-pent-4-en-2-yloxolane (PubChem CID 144768064) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3-pent-4-en-2-yloxolane.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3-pent-4-en-2-yloxolane
PubChem CID144768064
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2S,3S)-2-methyl-3-pent-4-en-2-yloxolane
SMILESC=CCC(C)[C@@H]1CCO[C@H]1C
InChIInChI=1S/C10H18O/c1-4-5-8(2)10-6-7-11-9(10)3/h4,8-10H,1,5-7H2,2-3H3/t8?,9-,10-/m0/s1
InChIKeyRXGZOSPPYRSDDP-AGROOBSYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.62
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,3S)-2-methyl-3-pent-4-en-2-yloxolane?
The IUPAC name of (2S,3S)-2-methyl-3-pent-4-en-2-yloxolane (CID 144768064) is (2S,3S)-2-methyl-3-pent-4-en-2-yloxolane.
What is the SMILES notation for (2S,3S)-2-methyl-3-pent-4-en-2-yloxolane?
The canonical SMILES for (2S,3S)-2-methyl-3-pent-4-en-2-yloxolane is C=CCC(C)[C@@H]1CCO[C@H]1C.
What is the InChIKey of (2S,3S)-2-methyl-3-pent-4-en-2-yloxolane?
The InChIKey is RXGZOSPPYRSDDP-AGROOBSYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-8(2)10-6-7-11-9(10)3/h4,8-10H,1,5-7H2,2-3H3/t8?,9-,10-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-3-pent-4-en-2-yloxolane?
(2S,3S)-2-methyl-3-pent-4-en-2-yloxolane has a molecular weight of 154.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3-pent-4-en-2-yloxolane is sourced from PubChem (CID 144768064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).