(1S)-cyclohex-3-ene-1,3-diol

C6H10O2 — CID 67743763

IUPAC(1S)-cyclohex-3-ene-1,3-diol
SMILESOC1=CCC[C@H](O)C1
InChIInChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h2,6-8H,1,3-4H2/t6-/m0/s1
InChIKeyVHRGDCUCLJDTMN-LURJTMIESA-N
MW114.14 g/mol
LogP0.97
Rot. Bonds

About (1S)-cyclohex-3-ene-1,3-diol

(1S)-cyclohex-3-ene-1,3-diol (PubChem CID 67743763) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1S)-cyclohex-3-ene-1,3-diol.

Molecular Properties

Compound Name(1S)-cyclohex-3-ene-1,3-diol
PubChem CID67743763
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1S)-cyclohex-3-ene-1,3-diol
SMILESOC1=CCC[C@H](O)C1
InChIInChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h2,6-8H,1,3-4H2/t6-/m0/s1
InChIKeyVHRGDCUCLJDTMN-LURJTMIESA-N
XLogP0.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-cyclohex-3-ene-1,3-diol?
The IUPAC name of (1S)-cyclohex-3-ene-1,3-diol (CID 67743763) is (1S)-cyclohex-3-ene-1,3-diol.
What is the SMILES notation for (1S)-cyclohex-3-ene-1,3-diol?
The canonical SMILES for (1S)-cyclohex-3-ene-1,3-diol is OC1=CCC[C@H](O)C1.
What is the InChIKey of (1S)-cyclohex-3-ene-1,3-diol?
The InChIKey is VHRGDCUCLJDTMN-LURJTMIESA-N. The full InChI is InChI=1S/C6H10O2/c7-5-2-1-3-6(8)4-5/h2,6-8H,1,3-4H2/t6-/m0/s1.
What are the key properties of (1S)-cyclohex-3-ene-1,3-diol?
(1S)-cyclohex-3-ene-1,3-diol has a molecular weight of 114.14 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-cyclohex-3-ene-1,3-diol is sourced from PubChem (CID 67743763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).