(4R)-4-methylhex-1-ene-2,3,4-triol

C7H14O3 — CID 89028718

IUPAC(4R)-4-methylhex-1-ene-2,3,4-triol
SMILESC=C(O)C(O)[C@](C)(O)CC
InChIInChI=1S/C7H14O3/c1-4-7(3,10)6(9)5(2)8/h6,8-10H,2,4H2,1,3H3/t6?,7-/m1/s1
InChIKeyAILGDDLFJXQPTP-COBSHVIPSA-N
MW146.19 g/mol
LogP0.58
Rot. Bonds3

About (4R)-4-methylhex-1-ene-2,3,4-triol

(4R)-4-methylhex-1-ene-2,3,4-triol (PubChem CID 89028718) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (4R)-4-methylhex-1-ene-2,3,4-triol.

Molecular Properties

Compound Name(4R)-4-methylhex-1-ene-2,3,4-triol
PubChem CID89028718
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(4R)-4-methylhex-1-ene-2,3,4-triol
SMILESC=C(O)C(O)[C@](C)(O)CC
InChIInChI=1S/C7H14O3/c1-4-7(3,10)6(9)5(2)8/h6,8-10H,2,4H2,1,3H3/t6?,7-/m1/s1
InChIKeyAILGDDLFJXQPTP-COBSHVIPSA-N
XLogP0.58
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methylhex-1-ene-2,3,4-triol?
The IUPAC name of (4R)-4-methylhex-1-ene-2,3,4-triol (CID 89028718) is (4R)-4-methylhex-1-ene-2,3,4-triol.
What is the SMILES notation for (4R)-4-methylhex-1-ene-2,3,4-triol?
The canonical SMILES for (4R)-4-methylhex-1-ene-2,3,4-triol is C=C(O)C(O)[C@](C)(O)CC.
What is the InChIKey of (4R)-4-methylhex-1-ene-2,3,4-triol?
The InChIKey is AILGDDLFJXQPTP-COBSHVIPSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-7(3,10)6(9)5(2)8/h6,8-10H,2,4H2,1,3H3/t6?,7-/m1/s1.
What are the key properties of (4R)-4-methylhex-1-ene-2,3,4-triol?
(4R)-4-methylhex-1-ene-2,3,4-triol has a molecular weight of 146.19 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methylhex-1-ene-2,3,4-triol is sourced from PubChem (CID 89028718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).