(2R)-2-methylhex-5-ene-1,2-diol

C7H14O2 — CID 15936671

IUPAC(2R)-2-methylhex-5-ene-1,2-diol
SMILESC=CCC[C@@](C)(O)CO
InChIInChI=1S/C7H14O2/c1-3-4-5-7(2,9)6-8/h3,8-9H,1,4-6H2,2H3/t7-/m1/s1
InChIKeyUNGNHFQYSQHLRO-SSDOTTSWSA-N
MW130.19 g/mol
LogP0.70
Rot. Bonds4

About (2R)-2-methylhex-5-ene-1,2-diol

(2R)-2-methylhex-5-ene-1,2-diol (PubChem CID 15936671) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2R)-2-methylhex-5-ene-1,2-diol.

Molecular Properties

Compound Name(2R)-2-methylhex-5-ene-1,2-diol
PubChem CID15936671
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2R)-2-methylhex-5-ene-1,2-diol
SMILESC=CCC[C@@](C)(O)CO
InChIInChI=1S/C7H14O2/c1-3-4-5-7(2,9)6-8/h3,8-9H,1,4-6H2,2H3/t7-/m1/s1
InChIKeyUNGNHFQYSQHLRO-SSDOTTSWSA-N
XLogP0.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
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 (2R)-2-methylhex-5-ene-1,2-diol?
The IUPAC name of (2R)-2-methylhex-5-ene-1,2-diol (CID 15936671) is (2R)-2-methylhex-5-ene-1,2-diol.
What is the SMILES notation for (2R)-2-methylhex-5-ene-1,2-diol?
The canonical SMILES for (2R)-2-methylhex-5-ene-1,2-diol is C=CCC[C@@](C)(O)CO.
What is the InChIKey of (2R)-2-methylhex-5-ene-1,2-diol?
The InChIKey is UNGNHFQYSQHLRO-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-5-7(2,9)6-8/h3,8-9H,1,4-6H2,2H3/t7-/m1/s1.
What are the key properties of (2R)-2-methylhex-5-ene-1,2-diol?
(2R)-2-methylhex-5-ene-1,2-diol has a molecular weight of 130.19 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylhex-5-ene-1,2-diol is sourced from PubChem (CID 15936671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).