2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol

C10H18O3 — CID 85408483

IUPAC2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol
SMILESCC(C)C1=CC(O)C(C)(O)CC1O
InChIInChI=1S/C10H18O3/c1-6(2)7-4-9(12)10(3,13)5-8(7)11/h4,6,8-9,11-13H,5H2,1-3H3
InChIKeySYRVWXFZYGDVTF-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.45
Rot. Bonds1

About 2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol

2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol (PubChem CID 85408483) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol.

Molecular Properties

Compound Name2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol
PubChem CID85408483
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol
SMILESCC(C)C1=CC(O)C(C)(O)CC1O
InChIInChI=1S/C10H18O3/c1-6(2)7-4-9(12)10(3,13)5-8(7)11/h4,6,8-9,11-13H,5H2,1-3H3
InChIKeySYRVWXFZYGDVTF-UHFFFAOYSA-N
XLogP0.45
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol?
The IUPAC name of 2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol (CID 85408483) is 2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol.
What is the SMILES notation for 2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol?
The canonical SMILES for 2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol is CC(C)C1=CC(O)C(C)(O)CC1O.
What is the InChIKey of 2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol?
The InChIKey is SYRVWXFZYGDVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-6(2)7-4-9(12)10(3,13)5-8(7)11/h4,6,8-9,11-13H,5H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol?
2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol has a molecular weight of 186.25 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-ylcyclohex-5-ene-1,2,4-triol is sourced from PubChem (CID 85408483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).