trans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol

C8H14O2 — CID 59972088

IUPACtrans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol
SMILESCC=C1C[C@@H](O)C[C@H](O)C1
InChIInChI=1S/C8H14O2/c1-2-6-3-7(9)5-8(10)4-6/h2,7-10H,3-5H2,1H3/t7-,8-/m1/s1
InChIKeyOLRHAJWYQFTQLD-HTQZYQBOSA-N
MW142.20 g/mol
LogP0.84
Rot. Bonds

About trans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol

trans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol (PubChem CID 59972088) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is trans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol.

Molecular Properties

Compound Nametrans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol
PubChem CID59972088
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nametrans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol
SMILESCC=C1C[C@@H](O)C[C@H](O)C1
InChIInChI=1S/C8H14O2/c1-2-6-3-7(9)5-8(10)4-6/h2,7-10H,3-5H2,1H3/t7-,8-/m1/s1
InChIKeyOLRHAJWYQFTQLD-HTQZYQBOSA-N
XLogP0.84
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 ≤ 50.84
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 trans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol?
The IUPAC name of trans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol (CID 59972088) is trans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol.
What is the SMILES notation for trans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol?
The canonical SMILES for trans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol is CC=C1C[C@@H](O)C[C@H](O)C1.
What is the InChIKey of trans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol?
The InChIKey is OLRHAJWYQFTQLD-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-6-3-7(9)5-8(10)4-6/h2,7-10H,3-5H2,1H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol?
trans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol has a molecular weight of 142.20 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol is sourced from PubChem (CID 59972088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).