(1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one

C11H16O — CID 130891455

IUPAC(1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one
SMILESC[C@@H]1[C@@H]2CCC[C@@]23C(=O)CC[C@@H]13
InChIInChI=1S/C11H16O/c1-7-8-3-2-6-11(8)9(7)4-5-10(11)12/h7-9H,2-6H2,1H3/t7-,8+,9+,11-/m1/s1
InChIKeyGHQOKQUSWPZKHD-UYAYMFIHSA-N
MW164.25 g/mol
LogP2.40
Rot. Bonds

About (1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one

(1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one (PubChem CID 130891455) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one.

Molecular Properties

Compound Name(1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one
PubChem CID130891455
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one
SMILESC[C@@H]1[C@@H]2CCC[C@@]23C(=O)CC[C@@H]13
InChIInChI=1S/C11H16O/c1-7-8-3-2-6-11(8)9(7)4-5-10(11)12/h7-9H,2-6H2,1H3/t7-,8+,9+,11-/m1/s1
InChIKeyGHQOKQUSWPZKHD-UYAYMFIHSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one?
The IUPAC name of (1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one (CID 130891455) is (1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one.
What is the SMILES notation for (1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one?
The canonical SMILES for (1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one is C[C@@H]1[C@@H]2CCC[C@@]23C(=O)CC[C@@H]13.
What is the InChIKey of (1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one?
The InChIKey is GHQOKQUSWPZKHD-UYAYMFIHSA-N. The full InChI is InChI=1S/C11H16O/c1-7-8-3-2-6-11(8)9(7)4-5-10(11)12/h7-9H,2-6H2,1H3/t7-,8+,9+,11-/m1/s1.
What are the key properties of (1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one?
(1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one has a molecular weight of 164.25 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,7S)-6-methyltricyclo[5.3.0.01,5]decan-2-one is sourced from PubChem (CID 130891455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).