2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane

C18H30O — CID 545265

IUPAC2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane
SMILESCC(C)(C)C12OC(C)(C)C3(C)C4CC(CC1C4)CC32
InChIInChI=1S/C18H30O/c1-15(2,3)18-13-8-11-7-12(10-13)17(6,14(18)9-11)16(4,5)19-18/h11-14H,7-10H2,1-6H3
InChIKeyCYMWZZACFUOBTC-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.65
Rot. Bonds

About 2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane

2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane (PubChem CID 545265) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane.

Molecular Properties

Compound Name2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane
PubChem CID545265
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane
SMILESCC(C)(C)C12OC(C)(C)C3(C)C4CC(CC1C4)CC32
InChIInChI=1S/C18H30O/c1-15(2,3)18-13-8-11-7-12(10-13)17(6,14(18)9-11)16(4,5)19-18/h11-14H,7-10H2,1-6H3
InChIKeyCYMWZZACFUOBTC-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane?
The IUPAC name of 2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane (CID 545265) is 2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane.
What is the SMILES notation for 2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane?
The canonical SMILES for 2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane is CC(C)(C)C12OC(C)(C)C3(C)C4CC(CC1C4)CC32.
What is the InChIKey of 2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane?
The InChIKey is CYMWZZACFUOBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-15(2,3)18-13-8-11-7-12(10-13)17(6,14(18)9-11)16(4,5)19-18/h11-14H,7-10H2,1-6H3.
What are the key properties of 2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane?
2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane has a molecular weight of 262.44 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,4,5-trimethyl-3-oxatetracyclo[6.3.1.02,6.05,10]dodecane is sourced from PubChem (CID 545265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).