(5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one

C17H26O — CID 134971316

IUPAC(5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one
SMILESCC(C)=CCCC1=C[C@@H](C)[C@]2(CCCC2=O)CC1
InChIInChI=1S/C17H26O/c1-13(2)6-4-7-15-9-11-17(14(3)12-15)10-5-8-16(17)18/h6,12,14H,4-5,7-11H2,1-3H3/t14-,17+/m1/s1
InChIKeyRWMCTANGKCMSRZ-PBHICJAKSA-N
MW246.39 g/mol
LogP4.83
Rot. Bonds3

About (5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one

(5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one (PubChem CID 134971316) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is (5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one.

Molecular Properties

Compound Name(5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one
PubChem CID134971316
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name(5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one
SMILESCC(C)=CCCC1=C[C@@H](C)[C@]2(CCCC2=O)CC1
InChIInChI=1S/C17H26O/c1-13(2)6-4-7-15-9-11-17(14(3)12-15)10-5-8-16(17)18/h6,12,14H,4-5,7-11H2,1-3H3/t14-,17+/m1/s1
InChIKeyRWMCTANGKCMSRZ-PBHICJAKSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one?
The IUPAC name of (5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one (CID 134971316) is (5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one.
What is the SMILES notation for (5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one?
The canonical SMILES for (5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one is CC(C)=CCCC1=C[C@@H](C)[C@]2(CCCC2=O)CC1.
What is the InChIKey of (5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one?
The InChIKey is RWMCTANGKCMSRZ-PBHICJAKSA-N. The full InChI is InChI=1S/C17H26O/c1-13(2)6-4-7-15-9-11-17(14(3)12-15)10-5-8-16(17)18/h6,12,14H,4-5,7-11H2,1-3H3/t14-,17+/m1/s1.
What are the key properties of (5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one?
(5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one has a molecular weight of 246.39 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10R)-10-methyl-8-(4-methylpent-3-enyl)spiro[4.5]dec-8-en-4-one is sourced from PubChem (CID 134971316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).