(1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one

C14H22O — CID 101415359

IUPAC(1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one
SMILESCC(C)[C@@H]1CC[C@H](C)[C@]12C=CC(=O)CC2
InChIInChI=1S/C14H22O/c1-10(2)13-5-4-11(3)14(13)8-6-12(15)7-9-14/h6,8,10-11,13H,4-5,7,9H2,1-3H3/t11-,13-,14+/m0/s1
InChIKeyDSSBTLQJLSPXEW-FPMFFAJLSA-N
MW206.33 g/mol
LogP3.59
Rot. Bonds1

About (1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one

(1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one (PubChem CID 101415359) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name(1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one
PubChem CID101415359
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one
SMILESCC(C)[C@@H]1CC[C@H](C)[C@]12C=CC(=O)CC2
InChIInChI=1S/C14H22O/c1-10(2)13-5-4-11(3)14(13)8-6-12(15)7-9-14/h6,8,10-11,13H,4-5,7,9H2,1-3H3/t11-,13-,14+/m0/s1
InChIKeyDSSBTLQJLSPXEW-FPMFFAJLSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one?
The IUPAC name of (1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one (CID 101415359) is (1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for (1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one?
The canonical SMILES for (1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one is CC(C)[C@@H]1CC[C@H](C)[C@]12C=CC(=O)CC2.
What is the InChIKey of (1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one?
The InChIKey is DSSBTLQJLSPXEW-FPMFFAJLSA-N. The full InChI is InChI=1S/C14H22O/c1-10(2)13-5-4-11(3)14(13)8-6-12(15)7-9-14/h6,8,10-11,13H,4-5,7,9H2,1-3H3/t11-,13-,14+/m0/s1.
What are the key properties of (1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one?
(1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one has a molecular weight of 206.33 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,5R)-1-methyl-4-propan-2-ylspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 101415359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).