[(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate

C18H29NO3 — CID 98134253

IUPAC[(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate
SMILESC=C[C@H]1OC[C@@]2(COC(=O)NC(C)C)[C@H](C)C=C(C)[C@H]1[C@H]2C
InChIInChI=1S/C18H29NO3/c1-7-15-16-12(4)8-13(5)18(9-21-15,14(16)6)10-22-17(20)19-11(2)3/h7-8,11,13-16H,1,9-10H2,2-6H3,(H,19,20)/t13-,14-,15-,16+,18-/m1/s1
InChIKeyURFXFCPVDBSKQJ-MAPUTHEBSA-N
MW307.43 g/mol
LogP3.54
Rot. Bonds4

About [(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate

[(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate (PubChem CID 98134253) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is [(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate
PubChem CID98134253
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name[(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate
SMILESC=C[C@H]1OC[C@@]2(COC(=O)NC(C)C)[C@H](C)C=C(C)[C@H]1[C@H]2C
InChIInChI=1S/C18H29NO3/c1-7-15-16-12(4)8-13(5)18(9-21-15,14(16)6)10-22-17(20)19-11(2)3/h7-8,11,13-16H,1,9-10H2,2-6H3,(H,19,20)/t13-,14-,15-,16+,18-/m1/s1
InChIKeyURFXFCPVDBSKQJ-MAPUTHEBSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate?
The IUPAC name of [(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate (CID 98134253) is [(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate is C=C[C@H]1OC[C@@]2(COC(=O)NC(C)C)[C@H](C)C=C(C)[C@H]1[C@H]2C.
What is the InChIKey of [(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate?
The InChIKey is URFXFCPVDBSKQJ-MAPUTHEBSA-N. The full InChI is InChI=1S/C18H29NO3/c1-7-15-16-12(4)8-13(5)18(9-21-15,14(16)6)10-22-17(20)19-11(2)3/h7-8,11,13-16H,1,9-10H2,2-6H3,(H,19,20)/t13-,14-,15-,16+,18-/m1/s1.
What are the key properties of [(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate?
[(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate has a molecular weight of 307.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R,5R,8R,9R)-4-ethenyl-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl N-propan-2-ylcarbamate is sourced from PubChem (CID 98134253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).