[(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol

C10H18O2 — CID 175638906

IUPAC[(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol
SMILESC=CC(CC)[C@@H]1OCC[C@H]1CO
InChIInChI=1S/C10H18O2/c1-3-8(4-2)10-9(7-11)5-6-12-10/h3,8-11H,1,4-7H2,2H3/t8?,9-,10-/m0/s1
InChIKeyYTWYVBZYIODHJX-AGROOBSYSA-N
MW170.25 g/mol
LogP1.60
Rot. Bonds4

About [(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol

[(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol (PubChem CID 175638906) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol
PubChem CID175638906
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol
SMILESC=CC(CC)[C@@H]1OCC[C@H]1CO
InChIInChI=1S/C10H18O2/c1-3-8(4-2)10-9(7-11)5-6-12-10/h3,8-11H,1,4-7H2,2H3/t8?,9-,10-/m0/s1
InChIKeyYTWYVBZYIODHJX-AGROOBSYSA-N
XLogP1.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
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 [(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol?
The IUPAC name of [(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol (CID 175638906) is [(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol.
What is the SMILES notation for [(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol?
The canonical SMILES for [(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol is C=CC(CC)[C@@H]1OCC[C@H]1CO.
What is the InChIKey of [(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol?
The InChIKey is YTWYVBZYIODHJX-AGROOBSYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-8(4-2)10-9(7-11)5-6-12-10/h3,8-11H,1,4-7H2,2H3/t8?,9-,10-/m0/s1.
What are the key properties of [(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol?
[(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol has a molecular weight of 170.25 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-pent-1-en-3-yloxolan-3-yl]methanol is sourced from PubChem (CID 175638906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).