ethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate

C14H16O2 — CID 15506649

IUPACethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate
SMILESCCOC(=O)C1C2CCc3ccccc3C21
InChIInChI=1S/C14H16O2/c1-2-16-14(15)13-11-8-7-9-5-3-4-6-10(9)12(11)13/h3-6,11-13H,2,7-8H2,1H3
InChIKeyXDYQDLVZJKAJBM-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.53
Rot. Bonds2

About ethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate

ethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate (PubChem CID 15506649) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate
PubChem CID15506649
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nameethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate
SMILESCCOC(=O)C1C2CCc3ccccc3C21
InChIInChI=1S/C14H16O2/c1-2-16-14(15)13-11-8-7-9-5-3-4-6-10(9)12(11)13/h3-6,11-13H,2,7-8H2,1H3
InChIKeyXDYQDLVZJKAJBM-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate?
The IUPAC name of ethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate (CID 15506649) is ethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate.
What is the SMILES notation for ethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate?
The canonical SMILES for ethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate is CCOC(=O)C1C2CCc3ccccc3C21.
What is the InChIKey of ethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate?
The InChIKey is XDYQDLVZJKAJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-16-14(15)13-11-8-7-9-5-3-4-6-10(9)12(11)13/h3-6,11-13H,2,7-8H2,1H3.
What are the key properties of ethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate?
ethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate is sourced from PubChem (CID 15506649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).