[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate

C14H22O2 — CID 140960699

IUPAC[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)C1CC1)C2
InChIInChI=1S/C14H22O2/c1-13(2)10-6-7-14(13,3)11(8-10)16-12(15)9-4-5-9/h9-11H,4-8H2,1-3H3/t10-,11-,14+/m0/s1
InChIKeyDLOJFHFFTPSBPR-COPLHBTASA-N
MW222.33 g/mol
LogP3.15
Rot. Bonds2

About [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate

[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate (PubChem CID 140960699) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate
PubChem CID140960699
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)C1CC1)C2
InChIInChI=1S/C14H22O2/c1-13(2)10-6-7-14(13,3)11(8-10)16-12(15)9-4-5-9/h9-11H,4-8H2,1-3H3/t10-,11-,14+/m0/s1
InChIKeyDLOJFHFFTPSBPR-COPLHBTASA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate?
The IUPAC name of [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate (CID 140960699) is [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate.
What is the SMILES notation for [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate?
The canonical SMILES for [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate is CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)C1CC1)C2.
What is the InChIKey of [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate?
The InChIKey is DLOJFHFFTPSBPR-COPLHBTASA-N. The full InChI is InChI=1S/C14H22O2/c1-13(2)10-6-7-14(13,3)11(8-10)16-12(15)9-4-5-9/h9-11H,4-8H2,1-3H3/t10-,11-,14+/m0/s1.
What are the key properties of [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate?
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate has a molecular weight of 222.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] cyclopropanecarboxylate is sourced from PubChem (CID 140960699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).