(1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one

C17H26O2 — CID 23253122

IUPAC(1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@@]12CCC(=O)C=C2OC(C)C
InChIInChI=1S/C17H26O2/c1-11(2)15-7-6-13(5)17(15)9-8-14(18)10-16(17)19-12(3)4/h10,12-13,15H,1,6-9H2,2-5H3/t13-,15+,17+/m1/s1
InChIKeyRRGFXOAZFQVWFL-KMFMINBZSA-N
MW262.39 g/mol
LogP4.27
Rot. Bonds3

About (1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one

(1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one (PubChem CID 23253122) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name(1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
PubChem CID23253122
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@@]12CCC(=O)C=C2OC(C)C
InChIInChI=1S/C17H26O2/c1-11(2)15-7-6-13(5)17(15)9-8-14(18)10-16(17)19-12(3)4/h10,12-13,15H,1,6-9H2,2-5H3/t13-,15+,17+/m1/s1
InChIKeyRRGFXOAZFQVWFL-KMFMINBZSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

CID 10040623
CID 10040623
(1R,3E,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene
CID 51040055
rel-(1R,3Z,7S,8S,11S,12S)-7,8-Epoxy-14-oxo-3,18-dolabelladiene
CID 51040056
8-Acetoxy-4-acoren-3-one
CID 85288994
(1S,4R,6R,9E,12R)-4,9,12-trimethyl-15-propan-2-ylidene-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-14-one
CID 164609000
2-Acetoxyacorenone
CID 10850234
(1R,4S,6S,9E,12S)-4,9,12-trimethyl-15-propan-2-ylidene-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-14-one
CID 21582039
(1S,4S,6S,9E,12R)-4,9,12-trimethyl-15-propan-2-ylidene-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-14-one
CID 46888355
(1R,3S,5S,12S,13S)-1,5,9-trimethyl-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-15-one
CID 53326625
Phomophyllin A
CID 139589997
(1R,3S,5S,8E,12S,13S)-1,5,9-trimethyl-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-15-one
CID 51040052
ethyl (1S,5R)-4-methylidene-8-oxospiro[4.5]dec-9-ene-1-carboxylate
CID 127038235

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one?
The IUPAC name of (1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one (CID 23253122) is (1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for (1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one?
The canonical SMILES for (1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one is C=C(C)[C@@H]1CC[C@@H](C)[C@@]12CCC(=O)C=C2OC(C)C.
What is the InChIKey of (1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one?
The InChIKey is RRGFXOAZFQVWFL-KMFMINBZSA-N. The full InChI is InChI=1S/C17H26O2/c1-11(2)15-7-6-13(5)17(15)9-8-14(18)10-16(17)19-12(3)4/h10,12-13,15H,1,6-9H2,2-5H3/t13-,15+,17+/m1/s1.
What are the key properties of (1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one?
(1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one has a molecular weight of 262.39 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 23253122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).