(2R)-2-methylhex-5-ene-1,3-diol

C7H14O2 — CID 130652300

IUPAC(2R)-2-methylhex-5-ene-1,3-diol
SMILESC=CCC(O)[C@H](C)CO
InChIInChI=1S/C7H14O2/c1-3-4-7(9)6(2)5-8/h3,6-9H,1,4-5H2,2H3/t6-,7?/m1/s1
InChIKeyXIOWAZGQENSIGN-ULUSZKPHSA-N
MW130.19 g/mol
LogP0.55
Rot. Bonds4

About (2R)-2-methylhex-5-ene-1,3-diol

(2R)-2-methylhex-5-ene-1,3-diol (PubChem CID 130652300) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2R)-2-methylhex-5-ene-1,3-diol.

Molecular Properties

Compound Name(2R)-2-methylhex-5-ene-1,3-diol
PubChem CID130652300
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2R)-2-methylhex-5-ene-1,3-diol
SMILESC=CCC(O)[C@H](C)CO
InChIInChI=1S/C7H14O2/c1-3-4-7(9)6(2)5-8/h3,6-9H,1,4-5H2,2H3/t6-,7?/m1/s1
InChIKeyXIOWAZGQENSIGN-ULUSZKPHSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methylhept-6-ene-2,4-diol
CID 66895376
(2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol
CID 134906193
(2S,3S)-3-methylbutane-1,2,4-triol
CID 10877097
ethane;5-methyloct-1-en-4-ol
CID 142059047
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
(2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol
CID 87557711
methanol;(2S)-2-methylpent-4-en-1-ol
CID 143099829
butane-1,2,3,4-tetrol;3-methylbutane-1,2,4-triol;2-methylpropane-1,3-diol
CID 159826635
methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol
CID 157073054
azane;pent-4-en-2-ol
CID 22149561
(2S,3S)-3-methylhept-6-ene-1,2-diol
CID 102243304
3-hydroxy-2-methylhex-5-enoic acid
CID 174792452

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylhex-5-ene-1,3-diol?
The IUPAC name of (2R)-2-methylhex-5-ene-1,3-diol (CID 130652300) is (2R)-2-methylhex-5-ene-1,3-diol.
What is the SMILES notation for (2R)-2-methylhex-5-ene-1,3-diol?
The canonical SMILES for (2R)-2-methylhex-5-ene-1,3-diol is C=CCC(O)[C@H](C)CO.
What is the InChIKey of (2R)-2-methylhex-5-ene-1,3-diol?
The InChIKey is XIOWAZGQENSIGN-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-7(9)6(2)5-8/h3,6-9H,1,4-5H2,2H3/t6-,7?/m1/s1.
What are the key properties of (2R)-2-methylhex-5-ene-1,3-diol?
(2R)-2-methylhex-5-ene-1,3-diol has a molecular weight of 130.19 g/mol, XLogP of 0.55, 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-1,3-diol is sourced from PubChem (CID 130652300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).