(2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one

C15H24O — CID 154825558

IUPAC(2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one
SMILESC=C1CCC=C(C)CC[C@@H](C(C)C)C(=O)C1
InChIInChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,11,14H,4-5,7-10H2,1-3H3/t14-/m0/s1
InChIKeyQTFJNWQFKJITEE-AWEZNQCLSA-N
MW220.36 g/mol
LogP4.29
Rot. Bonds1

About (2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one

(2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one (PubChem CID 154825558) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one.

Molecular Properties

Compound Name(2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one
PubChem CID154825558
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one
SMILESC=C1CCC=C(C)CC[C@@H](C(C)C)C(=O)C1
InChIInChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,11,14H,4-5,7-10H2,1-3H3/t14-/m0/s1
InChIKeyQTFJNWQFKJITEE-AWEZNQCLSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,6Z,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
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(3S,6Z,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
CID 14106072
(3S,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
CID 6441391
(1E,6E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene
CID 6436582
(1E,5E,10E,12R)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene
CID 177497570
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 171904454
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485
(3aS,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 6436243
(3aR,6E,10E,15aS)-6,10-dimethyl-3-methylidene-14,15-didehydro-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
CID 134904769
4-methyl-2-methylidenecyclohept-4-en-1-one
CID 100986645
2-butan-2-yl-4-methylidenecyclopentan-1-one
CID 129266457
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one?
The IUPAC name of (2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one (CID 154825558) is (2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one.
What is the SMILES notation for (2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one?
The canonical SMILES for (2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one is C=C1CCC=C(C)CC[C@@H](C(C)C)C(=O)C1.
What is the InChIKey of (2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one?
The InChIKey is QTFJNWQFKJITEE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,11,14H,4-5,7-10H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one?
(2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one has a molecular weight of 220.36 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methyl-9-methylidene-2-propan-2-ylcyclodec-5-en-1-one is sourced from PubChem (CID 154825558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).