(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate

C11H19O- — CID 6451226

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate
SMILESCC1(C)C2CCC1(C)C(C[O-])C2
InChIInChI=1S/C11H19O/c1-10(2)8-4-5-11(10,3)9(6-8)7-12/h8-9H,4-7H2,1-3H3/q-1
InChIKeyMCJZOJPTTRMDJI-UHFFFAOYSA-N
MW167.27 g/mol
LogP1.81
Rot. Bonds1

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate (PubChem CID 6451226) has the molecular formula C11H19O- and a molecular weight of 167.27 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate
PubChem CID6451226
Molecular FormulaC11H19O-
Molecular Weight167.27 g/mol
Exact Mass167.14
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate
SMILESCC1(C)C2CCC1(C)C(C[O-])C2
InChIInChI=1S/C11H19O/c1-10(2)8-4-5-11(10,3)9(6-8)7-12/h8-9H,4-7H2,1-3H3/q-1
InChIKeyMCJZOJPTTRMDJI-UHFFFAOYSA-N
XLogP1.81
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate (CID 6451226) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate is CC1(C)C2CCC1(C)C(C[O-])C2.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate?
The InChIKey is MCJZOJPTTRMDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O/c1-10(2)8-4-5-11(10,3)9(6-8)7-12/h8-9H,4-7H2,1-3H3/q-1.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate has a molecular weight of 167.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)methanolate is sourced from PubChem (CID 6451226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).