(5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one

C16H24O — CID 129147492

IUPAC(5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one
SMILESCC1(C)C2CCC3(C2)C(=O)CC[C@@]32C1C2(C)C
InChIInChI=1S/C16H24O/c1-13(2)10-5-7-15(9-10)11(17)6-8-16(15)12(13)14(16,3)4/h10,12H,5-9H2,1-4H3/t10?,12?,15?,16-/m0/s1
InChIKeyJDTJTSHNIAMNCD-HMDLVHJSSA-N
MW232.37 g/mol
LogP3.82
Rot. Bonds

About (5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one

(5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one (PubChem CID 129147492) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one.

Molecular Properties

Compound Name(5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one
PubChem CID129147492
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one
SMILESCC1(C)C2CCC3(C2)C(=O)CC[C@@]32C1C2(C)C
InChIInChI=1S/C16H24O/c1-13(2)10-5-7-15(9-10)11(17)6-8-16(15)12(13)14(16,3)4/h10,12H,5-9H2,1-4H3/t10?,12?,15?,16-/m0/s1
InChIKeyJDTJTSHNIAMNCD-HMDLVHJSSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one?
The IUPAC name of (5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one (CID 129147492) is (5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one.
What is the SMILES notation for (5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one?
The canonical SMILES for (5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one is CC1(C)C2CCC3(C2)C(=O)CC[C@@]32C1C2(C)C.
What is the InChIKey of (5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one?
The InChIKey is JDTJTSHNIAMNCD-HMDLVHJSSA-N. The full InChI is InChI=1S/C16H24O/c1-13(2)10-5-7-15(9-10)11(17)6-8-16(15)12(13)14(16,3)4/h10,12H,5-9H2,1-4H3/t10?,12?,15?,16-/m0/s1.
What are the key properties of (5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one?
(5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one has a molecular weight of 232.37 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6,6,8,8-tetramethyltetracyclo[7.2.1.01,5.05,7]dodecan-2-one is sourced from PubChem (CID 129147492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).