2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

C12H20O — CID 130145587

IUPAC2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)C1CC=C(C)C(O)C1(C)C
InChIInChI=1S/C12H20O/c1-8(2)10-7-6-9(3)11(13)12(10,4)5/h6,10-11,13H,1,7H2,2-5H3
InChIKeyZZHPNGNMPNWJST-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.92
Rot. Bonds1

About 2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol

2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol (PubChem CID 130145587) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
PubChem CID130145587
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)C1CC=C(C)C(O)C1(C)C
InChIInChI=1S/C12H20O/c1-8(2)10-7-6-9(3)11(13)12(10,4)5/h6,10-11,13H,1,7H2,2-5H3
InChIKeyZZHPNGNMPNWJST-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The IUPAC name of 2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol (CID 130145587) is 2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for 2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for 2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol is C=C(C)C1CC=C(C)C(O)C1(C)C.
What is the InChIKey of 2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
The InChIKey is ZZHPNGNMPNWJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-8(2)10-7-6-9(3)11(13)12(10,4)5/h6,10-11,13H,1,7H2,2-5H3.
What are the key properties of 2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol?
2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol has a molecular weight of 180.29 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 130145587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).