(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol

C14H22O2 — CID 102217580

IUPAC(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol
SMILESO[C@H](C1CC=CCC1)[C@H](O)C1CC=CCC1
InChIInChI=1S/C14H22O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-3,5,11-16H,4,6-10H2/t11?,12?,13-,14-/m1/s1
InChIKeyLYGZMTJDTYIERA-NWINJMCUSA-N
MW222.33 g/mol
LogP2.42
Rot. Bonds3

About (1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol

(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol (PubChem CID 102217580) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol
PubChem CID102217580
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol
SMILESO[C@H](C1CC=CCC1)[C@H](O)C1CC=CCC1
InChIInChI=1S/C14H22O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-3,5,11-16H,4,6-10H2/t11?,12?,13-,14-/m1/s1
InChIKeyLYGZMTJDTYIERA-NWINJMCUSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol with MolForge

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Related Compounds

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1-cyclohex-3-en-1-yl-4-methoxybutan-1-ol
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1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclobutane-1-carbonitrile
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(2S)-2-[(1R)-cyclohex-3-en-1-yl]propanal
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bis[di(cyclohex-3-en-1-yl)methyl] butanedioate
CID 70611363

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol?
The IUPAC name of (1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol (CID 102217580) is (1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol.
What is the SMILES notation for (1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol?
The canonical SMILES for (1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol is O[C@H](C1CC=CCC1)[C@H](O)C1CC=CCC1.
What is the InChIKey of (1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol?
The InChIKey is LYGZMTJDTYIERA-NWINJMCUSA-N. The full InChI is InChI=1S/C14H22O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-3,5,11-16H,4,6-10H2/t11?,12?,13-,14-/m1/s1.
What are the key properties of (1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol?
(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol has a molecular weight of 222.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol is sourced from PubChem (CID 102217580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).