2,3,3,4,4-pentamethylspiro[4.5]decan-9-one

C15H26O — CID 69110976

IUPAC2,3,3,4,4-pentamethylspiro[4.5]decan-9-one
SMILESCC1CC2(CCCC(=O)C2)C(C)(C)C1(C)C
InChIInChI=1S/C15H26O/c1-11-9-15(8-6-7-12(16)10-15)14(4,5)13(11,2)3/h11H,6-10H2,1-5H3
InChIKeyMMPVLWZHBZMTFQ-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.21
Rot. Bonds

About 2,3,3,4,4-pentamethylspiro[4.5]decan-9-one

2,3,3,4,4-pentamethylspiro[4.5]decan-9-one (PubChem CID 69110976) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,3,3,4,4-pentamethylspiro[4.5]decan-9-one.

Molecular Properties

Compound Name2,3,3,4,4-pentamethylspiro[4.5]decan-9-one
PubChem CID69110976
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,3,3,4,4-pentamethylspiro[4.5]decan-9-one
SMILESCC1CC2(CCCC(=O)C2)C(C)(C)C1(C)C
InChIInChI=1S/C15H26O/c1-11-9-15(8-6-7-12(16)10-15)14(4,5)13(11,2)3/h11H,6-10H2,1-5H3
InChIKeyMMPVLWZHBZMTFQ-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4-pentamethylspiro[4.5]decan-9-one?
The IUPAC name of 2,3,3,4,4-pentamethylspiro[4.5]decan-9-one (CID 69110976) is 2,3,3,4,4-pentamethylspiro[4.5]decan-9-one.
What is the SMILES notation for 2,3,3,4,4-pentamethylspiro[4.5]decan-9-one?
The canonical SMILES for 2,3,3,4,4-pentamethylspiro[4.5]decan-9-one is CC1CC2(CCCC(=O)C2)C(C)(C)C1(C)C.
What is the InChIKey of 2,3,3,4,4-pentamethylspiro[4.5]decan-9-one?
The InChIKey is MMPVLWZHBZMTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11-9-15(8-6-7-12(16)10-15)14(4,5)13(11,2)3/h11H,6-10H2,1-5H3.
What are the key properties of 2,3,3,4,4-pentamethylspiro[4.5]decan-9-one?
2,3,3,4,4-pentamethylspiro[4.5]decan-9-one has a molecular weight of 222.37 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentamethylspiro[4.5]decan-9-one is sourced from PubChem (CID 69110976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).