2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol

C11H18O — CID 130146228

IUPAC2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol
SMILESCC1=CCC2CC(C)(C)C(O)C12
InChIInChI=1S/C11H18O/c1-7-4-5-8-6-11(2,3)10(12)9(7)8/h4,8-10,12H,5-6H2,1-3H3
InChIKeyZCWDEIKVBWBJAX-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.36
Rot. Bonds

About 2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol

2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol (PubChem CID 130146228) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol.

Molecular Properties

Compound Name2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol
PubChem CID130146228
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol
SMILESCC1=CCC2CC(C)(C)C(O)C12
InChIInChI=1S/C11H18O/c1-7-4-5-8-6-11(2,3)10(12)9(7)8/h4,8-10,12H,5-6H2,1-3H3
InChIKeyZCWDEIKVBWBJAX-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.36
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 2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol?
The IUPAC name of 2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol (CID 130146228) is 2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol.
What is the SMILES notation for 2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol?
The canonical SMILES for 2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol is CC1=CCC2CC(C)(C)C(O)C12.
What is the InChIKey of 2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol?
The InChIKey is ZCWDEIKVBWBJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7-4-5-8-6-11(2,3)10(12)9(7)8/h4,8-10,12H,5-6H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol?
2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-3,3a,4,6a-tetrahydro-1H-pentalen-1-ol is sourced from PubChem (CID 130146228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).