1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one

C14H22O — CID 151112972

IUPAC1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one
SMILESCC1C2=C(C(=O)CCC2)C(C)(C)C1(C)C
InChIInChI=1S/C14H22O/c1-9-10-7-6-8-11(15)12(10)14(4,5)13(9,2)3/h9H,6-8H2,1-5H3
InChIKeyMQNTUICLWSVQQY-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.74
Rot. Bonds

About 1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one

1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one (PubChem CID 151112972) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one.

Molecular Properties

Compound Name1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one
PubChem CID151112972
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one
SMILESCC1C2=C(C(=O)CCC2)C(C)(C)C1(C)C
InChIInChI=1S/C14H22O/c1-9-10-7-6-8-11(15)12(10)14(4,5)13(9,2)3/h9H,6-8H2,1-5H3
InChIKeyMQNTUICLWSVQQY-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.74
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 1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one?
The IUPAC name of 1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one (CID 151112972) is 1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one.
What is the SMILES notation for 1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one?
The canonical SMILES for 1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one is CC1C2=C(C(=O)CCC2)C(C)(C)C1(C)C.
What is the InChIKey of 1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one?
The InChIKey is MQNTUICLWSVQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-9-10-7-6-8-11(15)12(10)14(4,5)13(9,2)3/h9H,6-8H2,1-5H3.
What are the key properties of 1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one?
1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one has a molecular weight of 206.33 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3-pentamethyl-1,5,6,7-tetrahydroinden-4-one is sourced from PubChem (CID 151112972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).