(2S)-2-methylpent-4-en-1-ol

C6H12O — CID 11115994

IUPAC(2S)-2-methylpent-4-en-1-ol
SMILESC=CC[C@H](C)CO
InChIInChI=1S/C6H12O/c1-3-4-6(2)5-7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1
InChIKeyCTHUAOGQNZSMMC-LURJTMIESA-N
MW100.16 g/mol
LogP1.19
Rot. Bonds3

About (2S)-2-methylpent-4-en-1-ol

(2S)-2-methylpent-4-en-1-ol (PubChem CID 11115994) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (2S)-2-methylpent-4-en-1-ol.

Molecular Properties

Compound Name(2S)-2-methylpent-4-en-1-ol
PubChem CID11115994
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(2S)-2-methylpent-4-en-1-ol
SMILESC=CC[C@H](C)CO
InChIInChI=1S/C6H12O/c1-3-4-6(2)5-7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1
InChIKeyCTHUAOGQNZSMMC-LURJTMIESA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 (2S)-2-methylpent-4-en-1-ol?
The IUPAC name of (2S)-2-methylpent-4-en-1-ol (CID 11115994) is (2S)-2-methylpent-4-en-1-ol.
What is the SMILES notation for (2S)-2-methylpent-4-en-1-ol?
The canonical SMILES for (2S)-2-methylpent-4-en-1-ol is C=CC[C@H](C)CO.
What is the InChIKey of (2S)-2-methylpent-4-en-1-ol?
The InChIKey is CTHUAOGQNZSMMC-LURJTMIESA-N. The full InChI is InChI=1S/C6H12O/c1-3-4-6(2)5-7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1.
What are the key properties of (2S)-2-methylpent-4-en-1-ol?
(2S)-2-methylpent-4-en-1-ol has a molecular weight of 100.16 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylpent-4-en-1-ol is sourced from PubChem (CID 11115994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).