(2S,4R)-4-methylhex-5-en-2-ol

C7H14O — CID 13280484

IUPAC(2S,4R)-4-methylhex-5-en-2-ol
SMILESC=C[C@H](C)C[C@H](C)O
InChIInChI=1S/C7H14O/c1-4-6(2)5-7(3)8/h4,6-8H,1,5H2,2-3H3/t6-,7-/m0/s1
InChIKeyRKXRAFMFAMIVLI-BQBZGAKWSA-N
MW114.19 g/mol
LogP1.58
Rot. Bonds3

About (2S,4R)-4-methylhex-5-en-2-ol

(2S,4R)-4-methylhex-5-en-2-ol (PubChem CID 13280484) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (2S,4R)-4-methylhex-5-en-2-ol.

Molecular Properties

Compound Name(2S,4R)-4-methylhex-5-en-2-ol
PubChem CID13280484
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(2S,4R)-4-methylhex-5-en-2-ol
SMILESC=C[C@H](C)C[C@H](C)O
InChIInChI=1S/C7H14O/c1-4-6(2)5-7(3)8/h4,6-8H,1,5H2,2-3H3/t6-,7-/m0/s1
InChIKeyRKXRAFMFAMIVLI-BQBZGAKWSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.58
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,4R)-4-methylhex-5-en-2-ol?
The IUPAC name of (2S,4R)-4-methylhex-5-en-2-ol (CID 13280484) is (2S,4R)-4-methylhex-5-en-2-ol.
What is the SMILES notation for (2S,4R)-4-methylhex-5-en-2-ol?
The canonical SMILES for (2S,4R)-4-methylhex-5-en-2-ol is C=C[C@H](C)C[C@H](C)O.
What is the InChIKey of (2S,4R)-4-methylhex-5-en-2-ol?
The InChIKey is RKXRAFMFAMIVLI-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14O/c1-4-6(2)5-7(3)8/h4,6-8H,1,5H2,2-3H3/t6-,7-/m0/s1.
What are the key properties of (2S,4R)-4-methylhex-5-en-2-ol?
(2S,4R)-4-methylhex-5-en-2-ol has a molecular weight of 114.19 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-methylhex-5-en-2-ol is sourced from PubChem (CID 13280484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).