(4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one

C14H24O2 — CID 10561124

IUPAC(4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one
SMILESCO[C@H]1CCC[C@@]12C[C@H](C(C)C)CCC2=O
InChIInChI=1S/C14H24O2/c1-10(2)11-6-7-12(15)14(9-11)8-4-5-13(14)16-3/h10-11,13H,4-9H2,1-3H3/t11-,13+,14+/m1/s1
InChIKeyUSSYAOLLLAOPDY-XBFCOCLRSA-N
MW224.34 g/mol
LogP3.20
Rot. Bonds2

About (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one

(4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one (PubChem CID 10561124) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one.

Molecular Properties

Compound Name(4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one
PubChem CID10561124
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one
SMILESCO[C@H]1CCC[C@@]12C[C@H](C(C)C)CCC2=O
InChIInChI=1S/C14H24O2/c1-10(2)11-6-7-12(15)14(9-11)8-4-5-13(14)16-3/h10-11,13H,4-9H2,1-3H3/t11-,13+,14+/m1/s1
InChIKeyUSSYAOLLLAOPDY-XBFCOCLRSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-4-methoxyspiro[4.6]undecan-11-one
CID 10726571
(5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione
CID 10998243
4-methyl-9-propan-2-yl-2-azaspiro[4.5]decan-6-one
CID 165470324
1-ethenyl-8-propan-2-ylspiro[4.4]nonan-4-one
CID 78119246
9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10445764
6-methoxy-2-azaspiro[4.5]decane-1,3-dione
CID 106873346
8-methylspiro[3.4]octan-3-one
CID 557011
1-propan-2-yloxyspiro[3.5]nonan-3-one
CID 66367846
(5R,7R)-4,10-dimethylidene-7-propan-2-ylspiro[4.5]decane
CID 11138213
(4R,8S)-8-[(E,1R)-1-methoxybut-2-enyl]spiro[3.4]octan-3-one
CID 23650127
1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one
CID 107450626
2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one
CID 10014531

Frequently Asked Questions

What is the IUPAC name of (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one?
The IUPAC name of (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one (CID 10561124) is (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one.
What is the SMILES notation for (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one?
The canonical SMILES for (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one is CO[C@H]1CCC[C@@]12C[C@H](C(C)C)CCC2=O.
What is the InChIKey of (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one?
The InChIKey is USSYAOLLLAOPDY-XBFCOCLRSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)11-6-7-12(15)14(9-11)8-4-5-13(14)16-3/h10-11,13H,4-9H2,1-3H3/t11-,13+,14+/m1/s1.
What are the key properties of (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one?
(4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one has a molecular weight of 224.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,7R)-4-methoxy-7-propan-2-ylspiro[4.5]decan-10-one is sourced from PubChem (CID 10561124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).