1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one

C15H24O — CID 573024

IUPAC1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one
SMILESCC1=CCC2(CC1=O)C(C)CCC2C(C)C
InChIInChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3
InChIKeyHBTHUBMUAHAWBC-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.98
Rot. Bonds1

About 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one

1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one (PubChem CID 573024) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one.

Molecular Properties

Compound Name1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one
PubChem CID573024
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one
SMILESCC1=CCC2(CC1=O)C(C)CCC2C(C)C
InChIInChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3
InChIKeyHBTHUBMUAHAWBC-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one?
The IUPAC name of 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one (CID 573024) is 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one.
What is the SMILES notation for 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one?
The canonical SMILES for 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one is CC1=CCC2(CC1=O)C(C)CCC2C(C)C.
What is the InChIKey of 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one?
The InChIKey is HBTHUBMUAHAWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3.
What are the key properties of 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one?
1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one has a molecular weight of 220.36 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one is sourced from PubChem (CID 573024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).