(1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one

C15H22O — CID 11972552

IUPAC(1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one
SMILESC=C(C)[C@H]1CC[C@@H](C)[C@]12CCC(C)=CC2=O
InChIInChI=1S/C15H22O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)9-14(15)16/h9,12-13H,1,5-8H2,2-4H3/t12-,13-,15-/m1/s1
InChIKeyBGHWWBSODRCFDG-UMVBOHGHSA-N
MW218.34 g/mol
LogP3.90
Rot. Bonds1

About (1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one

(1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one (PubChem CID 11972552) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one.

Molecular Properties

Compound Name(1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one
PubChem CID11972552
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one
SMILESC=C(C)[C@H]1CC[C@@H](C)[C@]12CCC(C)=CC2=O
InChIInChI=1S/C15H22O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)9-14(15)16/h9,12-13H,1,5-8H2,2-4H3/t12-,13-,15-/m1/s1
InChIKeyBGHWWBSODRCFDG-UMVBOHGHSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.90
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 (1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one?
The IUPAC name of (1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one (CID 11972552) is (1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one.
What is the SMILES notation for (1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one?
The canonical SMILES for (1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one is C=C(C)[C@H]1CC[C@@H](C)[C@]12CCC(C)=CC2=O.
What is the InChIKey of (1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one?
The InChIKey is BGHWWBSODRCFDG-UMVBOHGHSA-N. The full InChI is InChI=1S/C15H22O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)9-14(15)16/h9,12-13H,1,5-8H2,2-4H3/t12-,13-,15-/m1/s1.
What are the key properties of (1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one?
(1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one has a molecular weight of 218.34 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-en-10-one is sourced from PubChem (CID 11972552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).