(2R,3R)-3-methylpent-4-en-2-ol

C6H12O — CID 11309480

IUPAC(2R,3R)-3-methylpent-4-en-2-ol
SMILESC=C[C@@H](C)[C@@H](C)O
InChIInChI=1S/C6H12O/c1-4-5(2)6(3)7/h4-7H,1H2,2-3H3/t5-,6-/m1/s1
InChIKeyCOIPQIFWUIDWLU-PHDIDXHHSA-N
MW100.16 g/mol
LogP1.19
Rot. Bonds2

About (2R,3R)-3-methylpent-4-en-2-ol

(2R,3R)-3-methylpent-4-en-2-ol (PubChem CID 11309480) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (2R,3R)-3-methylpent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-methylpent-4-en-2-ol
PubChem CID11309480
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(2R,3R)-3-methylpent-4-en-2-ol
SMILESC=C[C@@H](C)[C@@H](C)O
InChIInChI=1S/C6H12O/c1-4-5(2)6(3)7/h4-7H,1H2,2-3H3/t5-,6-/m1/s1
InChIKeyCOIPQIFWUIDWLU-PHDIDXHHSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.19
H-Bond Donors ≤ 51
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 (2R,3R)-3-methylpent-4-en-2-ol?
The IUPAC name of (2R,3R)-3-methylpent-4-en-2-ol (CID 11309480) is (2R,3R)-3-methylpent-4-en-2-ol.
What is the SMILES notation for (2R,3R)-3-methylpent-4-en-2-ol?
The canonical SMILES for (2R,3R)-3-methylpent-4-en-2-ol is C=C[C@@H](C)[C@@H](C)O.
What is the InChIKey of (2R,3R)-3-methylpent-4-en-2-ol?
The InChIKey is COIPQIFWUIDWLU-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12O/c1-4-5(2)6(3)7/h4-7H,1H2,2-3H3/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-3-methylpent-4-en-2-ol?
(2R,3R)-3-methylpent-4-en-2-ol has a molecular weight of 100.16 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methylpent-4-en-2-ol is sourced from PubChem (CID 11309480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).