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

C17H28O3 — CID 103557171

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(1-methoxycyclobutyl)acetate
SMILESCOC1(CC(=O)OC2CC3CCC2(C)C3(C)C)CCC1
InChIInChI=1S/C17H28O3/c1-15(2)12-6-9-16(15,3)13(10-12)20-14(18)11-17(19-4)7-5-8-17/h12-13H,5-11H2,1-4H3
InChIKeyFDDJDGVEJQNZTH-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.70
Rot. Bonds4

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

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(1-methoxycyclobutyl)acetate (PubChem CID 103557171) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(1-methoxycyclobutyl)acetate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(1-methoxycyclobutyl)acetate
PubChem CID103557171
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(1-methoxycyclobutyl)acetate
SMILESCOC1(CC(=O)OC2CC3CCC2(C)C3(C)C)CCC1
InChIInChI=1S/C17H28O3/c1-15(2)12-6-9-16(15,3)13(10-12)20-14(18)11-17(19-4)7-5-8-17/h12-13H,5-11H2,1-4H3
InChIKeyFDDJDGVEJQNZTH-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(1-methoxycyclobutyl)acetate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(1-methoxycyclobutyl)acetate (CID 103557171) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(1-methoxycyclobutyl)acetate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(1-methoxycyclobutyl)acetate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(1-methoxycyclobutyl)acetate is COC1(CC(=O)OC2CC3CCC2(C)C3(C)C)CCC1.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(1-methoxycyclobutyl)acetate?
The InChIKey is FDDJDGVEJQNZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-15(2)12-6-9-16(15,3)13(10-12)20-14(18)11-17(19-4)7-5-8-17/h12-13H,5-11H2,1-4H3.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(1-methoxycyclobutyl)acetate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(1-methoxycyclobutyl)acetate has a molecular weight of 280.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(1-methoxycyclobutyl)acetate is sourced from PubChem (CID 103557171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).