methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate

C16H24O3 — CID 156801086

IUPACmethyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate
SMILESCOC(=O)OCC1CC2CC1C1C3CC(C)C(C3)C21
InChIInChI=1S/C16H24O3/c1-8-3-9-5-12(8)14-10-4-11(7-19-16(17)18-2)13(6-10)15(9)14/h8-15H,3-7H2,1-2H3
InChIKeyHTZBLEWNNCIVMC-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.33
Rot. Bonds2

About methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate

methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate (PubChem CID 156801086) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate.

Molecular Properties

Compound Namemethyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate
PubChem CID156801086
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Namemethyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate
SMILESCOC(=O)OCC1CC2CC1C1C3CC(C)C(C3)C21
InChIInChI=1S/C16H24O3/c1-8-3-9-5-12(8)14-10-4-11(7-19-16(17)18-2)13(6-10)15(9)14/h8-15H,3-7H2,1-2H3
InChIKeyHTZBLEWNNCIVMC-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate?
The IUPAC name of methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate (CID 156801086) is methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate.
What is the SMILES notation for methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate?
The canonical SMILES for methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate is COC(=O)OCC1CC2CC1C1C3CC(C)C(C3)C21.
What is the InChIKey of methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate?
The InChIKey is HTZBLEWNNCIVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-8-3-9-5-12(8)14-10-4-11(7-19-16(17)18-2)13(6-10)15(9)14/h8-15H,3-7H2,1-2H3.
What are the key properties of methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate?
methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate has a molecular weight of 264.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (9-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl carbonate is sourced from PubChem (CID 156801086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).