trans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol

C11H20O2 — CID 58687882

IUPACtrans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol
SMILESCC(C)(C)C=C1C[C@H](O)C[C@@H](O)C1
InChIInChI=1S/C11H20O2/c1-11(2,3)7-8-4-9(12)6-10(13)5-8/h7,9-10,12-13H,4-6H2,1-3H3/t9-,10-/m0/s1
InChIKeyFYNQKQRYFXVGRK-UWVGGRQHSA-N
MW184.28 g/mol
LogP1.86
Rot. Bonds

About trans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol

trans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol (PubChem CID 58687882) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is trans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol.

Molecular Properties

Compound Nametrans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol
PubChem CID58687882
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nametrans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol
SMILESCC(C)(C)C=C1C[C@H](O)C[C@@H](O)C1
InChIInChI=1S/C11H20O2/c1-11(2,3)7-8-4-9(12)6-10(13)5-8/h7,9-10,12-13H,4-6H2,1-3H3/t9-,10-/m0/s1
InChIKeyFYNQKQRYFXVGRK-UWVGGRQHSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.86
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-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol?
The IUPAC name of trans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol (CID 58687882) is trans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol.
What is the SMILES notation for trans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol?
The canonical SMILES for trans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol is CC(C)(C)C=C1C[C@H](O)C[C@@H](O)C1.
What is the InChIKey of trans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol?
The InChIKey is FYNQKQRYFXVGRK-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(2,3)7-8-4-9(12)6-10(13)5-8/h7,9-10,12-13H,4-6H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol?
trans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol has a molecular weight of 184.28 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol is sourced from PubChem (CID 58687882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).