2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol

C11H16O2 — CID 134929876

IUPAC2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol
SMILESCC1(C)C=CC2=C(CCCC2O)O1
InChIInChI=1S/C11H16O2/c1-11(2)7-6-8-9(12)4-3-5-10(8)13-11/h6-7,9,12H,3-5H2,1-2H3
InChIKeyVDUUYPCRIWUSNN-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.15
Rot. Bonds

About 2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol

2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol (PubChem CID 134929876) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol.

Molecular Properties

Compound Name2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol
PubChem CID134929876
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol
SMILESCC1(C)C=CC2=C(CCCC2O)O1
InChIInChI=1S/C11H16O2/c1-11(2)7-6-8-9(12)4-3-5-10(8)13-11/h6-7,9,12H,3-5H2,1-2H3
InChIKeyVDUUYPCRIWUSNN-UHFFFAOYSA-N
XLogP2.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol?
The IUPAC name of 2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol (CID 134929876) is 2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol.
What is the SMILES notation for 2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol?
The canonical SMILES for 2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol is CC1(C)C=CC2=C(CCCC2O)O1.
What is the InChIKey of 2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol?
The InChIKey is VDUUYPCRIWUSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-11(2)7-6-8-9(12)4-3-5-10(8)13-11/h6-7,9,12H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol?
2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol has a molecular weight of 180.25 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5,6,7,8-tetrahydrochromen-5-ol is sourced from PubChem (CID 134929876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).