5,5-dimethylcyclohex-3-ene-1,3-diol

C8H14O2 — CID 20976015

IUPAC5,5-dimethylcyclohex-3-ene-1,3-diol
SMILESCC1(C)C=C(O)CC(O)C1
InChIInChI=1S/C8H14O2/c1-8(2)4-6(9)3-7(10)5-8/h4,7,9-10H,3,5H2,1-2H3
InChIKeyCSXMWEYGXBNRSN-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.61
Rot. Bonds

About 5,5-dimethylcyclohex-3-ene-1,3-diol

5,5-dimethylcyclohex-3-ene-1,3-diol (PubChem CID 20976015) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5,5-dimethylcyclohex-3-ene-1,3-diol.

Molecular Properties

Compound Name5,5-dimethylcyclohex-3-ene-1,3-diol
PubChem CID20976015
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5,5-dimethylcyclohex-3-ene-1,3-diol
SMILESCC1(C)C=C(O)CC(O)C1
InChIInChI=1S/C8H14O2/c1-8(2)4-6(9)3-7(10)5-8/h4,7,9-10H,3,5H2,1-2H3
InChIKeyCSXMWEYGXBNRSN-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyl-3-cyclohexen-1-ol
CID 546038
3,3-Dimethyl-1-cyclohexen-1-ol
CID 21678235
2,2-Dimethyl-3-cyclohexen-1-ol
CID 557534
(Cyclohex-2-ene-1,1-diyl)dimethanol
CID 20387250
4,4,6-Trimethylhept-5-ene-1,3-diol
CID 57071896
CID 134980237
CID 134980237
(2R,5S)-2-(hydroxymethyl)-5-methylcyclohex-3-en-1-ol
CID 130150390
(1-Methylcyclohex-2-en-1-yl)methanol
CID 54470606
1-(1,6-Dimethylcyclohexa-2,4-dien-1-yl)propane-1,3-diol
CID 67879847
Ethanol;3,5,5-trimethylcyclohexen-1-ol
CID 67947528
(E)-4,4-dimethylhept-5-ene-1,3-diol
CID 140988007
3,5,6-Tris(hydroxymethyl)-3,4,5-trimethylcyclohexen-1-ol
CID 152595114

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylcyclohex-3-ene-1,3-diol?
The IUPAC name of 5,5-dimethylcyclohex-3-ene-1,3-diol (CID 20976015) is 5,5-dimethylcyclohex-3-ene-1,3-diol.
What is the SMILES notation for 5,5-dimethylcyclohex-3-ene-1,3-diol?
The canonical SMILES for 5,5-dimethylcyclohex-3-ene-1,3-diol is CC1(C)C=C(O)CC(O)C1.
What is the InChIKey of 5,5-dimethylcyclohex-3-ene-1,3-diol?
The InChIKey is CSXMWEYGXBNRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(2)4-6(9)3-7(10)5-8/h4,7,9-10H,3,5H2,1-2H3.
What are the key properties of 5,5-dimethylcyclohex-3-ene-1,3-diol?
5,5-dimethylcyclohex-3-ene-1,3-diol has a molecular weight of 142.20 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylcyclohex-3-ene-1,3-diol is sourced from PubChem (CID 20976015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).