[(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol

C9H16O2 — CID 102271189

IUPAC[(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol
SMILESC=C(C)[C@@H]1OC[C@@H](CO)[C@@H]1C
InChIInChI=1S/C9H16O2/c1-6(2)9-7(3)8(4-10)5-11-9/h7-10H,1,4-5H2,2-3H3/t7-,8+,9-/m0/s1
InChIKeyGVQSYDPGLVBQRA-YIZRAAEISA-N
MW156.22 g/mol
LogP1.21
Rot. Bonds2

About [(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol

[(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol (PubChem CID 102271189) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol
PubChem CID102271189
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol
SMILESC=C(C)[C@@H]1OC[C@@H](CO)[C@@H]1C
InChIInChI=1S/C9H16O2/c1-6(2)9-7(3)8(4-10)5-11-9/h7-10H,1,4-5H2,2-3H3/t7-,8+,9-/m0/s1
InChIKeyGVQSYDPGLVBQRA-YIZRAAEISA-N
XLogP1.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.21
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 [(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol?
The IUPAC name of [(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol (CID 102271189) is [(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol.
What is the SMILES notation for [(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol?
The canonical SMILES for [(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol is C=C(C)[C@@H]1OC[C@@H](CO)[C@@H]1C.
What is the InChIKey of [(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol?
The InChIKey is GVQSYDPGLVBQRA-YIZRAAEISA-N. The full InChI is InChI=1S/C9H16O2/c1-6(2)9-7(3)8(4-10)5-11-9/h7-10H,1,4-5H2,2-3H3/t7-,8+,9-/m0/s1.
What are the key properties of [(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol?
[(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol has a molecular weight of 156.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5R)-4-methyl-5-prop-1-en-2-yloxolan-3-yl]methanol is sourced from PubChem (CID 102271189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).