(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate

C17H26O2 — CID 557320

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCC(C(=O)OC2CC3CCC2(C)C3(C)C)C1
InChIInChI=1S/C17H26O2/c1-11-5-6-12(9-11)15(18)19-14-10-13-7-8-17(14,4)16(13,2)3/h12-14H,1,5-10H2,2-4H3
InChIKeySWUDFTFZJZYYDY-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.10
Rot. Bonds2

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate (PubChem CID 557320) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate
PubChem CID557320
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate
SMILESC=C1CCC(C(=O)OC2CC3CCC2(C)C3(C)C)C1
InChIInChI=1S/C17H26O2/c1-11-5-6-12(9-11)15(18)19-14-10-13-7-8-17(14,4)16(13,2)3/h12-14H,1,5-10H2,2-4H3
InChIKeySWUDFTFZJZYYDY-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate (CID 557320) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate is C=C1CCC(C(=O)OC2CC3CCC2(C)C3(C)C)C1.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate?
The InChIKey is SWUDFTFZJZYYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-11-5-6-12(9-11)15(18)19-14-10-13-7-8-17(14,4)16(13,2)3/h12-14H,1,5-10H2,2-4H3.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate has a molecular weight of 262.39 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 557320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).