(1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol

C8H14O2 — CID 14661581

IUPAC(1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol
SMILESC[C@H]1C=C[C@](C)(O)C[C@H]1O
InChIInChI=1S/C8H14O2/c1-6-3-4-8(2,10)5-7(6)9/h3-4,6-7,9-10H,5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKeyFZLWHGNYZWZYFH-RNJXMRFFSA-N
MW142.20 g/mol
LogP0.69
Rot. Bonds

About (1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol

(1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol (PubChem CID 14661581) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol.

Molecular Properties

Compound Name(1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol
PubChem CID14661581
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol
SMILESC[C@H]1C=C[C@](C)(O)C[C@H]1O
InChIInChI=1S/C8H14O2/c1-6-3-4-8(2,10)5-7(6)9/h3-4,6-7,9-10H,5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKeyFZLWHGNYZWZYFH-RNJXMRFFSA-N
XLogP0.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.69
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 (1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol?
The IUPAC name of (1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol (CID 14661581) is (1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol.
What is the SMILES notation for (1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol?
The canonical SMILES for (1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol is C[C@H]1C=C[C@](C)(O)C[C@H]1O.
What is the InChIKey of (1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol?
The InChIKey is FZLWHGNYZWZYFH-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-3-4-8(2,10)5-7(6)9/h3-4,6-7,9-10H,5H2,1-2H3/t6-,7+,8-/m0/s1.
What are the key properties of (1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol?
(1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol has a molecular weight of 142.20 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6S)-3,6-dimethylcyclohex-4-ene-1,3-diol is sourced from PubChem (CID 14661581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).